 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_wB97XD_def2SVPD.in
 Output=22_phenylethanamine_conformer04_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-61565.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     61566.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer04_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:31:52 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:31:53 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Thu Aug 12 22:31:53 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0114773346 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3603525084 Hartrees.
 Leave Link  301 at Thu Aug 12 22:31:53 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.36D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 22:31:54 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:31:54 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:31:54 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.856720562453    
 DIIS: error= 4.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.856720562453     IErMin= 1 ErrMin= 4.32D-03
 ErrMax= 4.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.29D-03 BMatP= 8.29D-03
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.25D-02 MaxDP=4.72D-01              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.86D-03    CP:  1.23D+00
 E= -365.863872976415     Delta-E=       -0.007152413962 Rises=F Damp=F
 DIIS: error= 4.26D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.863872976415     IErMin= 2 ErrMin= 4.26D-04
 ErrMax= 4.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-04 BMatP= 8.29D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.26D-03
 Coeff-Com: -0.527D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.525D-01 0.105D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.41D-03 MaxDP=1.14D-01 DE=-7.15D-03 OVMax= 5.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.74D-04    CP:  1.28D+00  1.15D+00
 E= -365.864126096507     Delta-E=       -0.000253120092 Rises=F Damp=F
 DIIS: error= 2.92D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.864126096507     IErMin= 3 ErrMin= 2.92D-04
 ErrMax= 2.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-05 BMatP= 1.63D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.92D-03
 Coeff-Com: -0.421D-01 0.421D+00 0.621D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.419D-01 0.420D+00 0.622D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.12D-04 MaxDP=1.18D-02 DE=-2.53D-04 OVMax= 1.92D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.56D-04    CP:  1.29D+00  1.16D+00  1.05D+00
 E= -365.864194176877     Delta-E=       -0.000068080369 Rises=F Damp=F
 DIIS: error= 5.54D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.864194176877     IErMin= 4 ErrMin= 5.54D-05
 ErrMax= 5.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-06 BMatP= 7.40D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.433D-02-0.163D-01 0.104D+00 0.916D+00
 Coeff:     -0.433D-02-0.163D-01 0.104D+00 0.916D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=6.62D-05 MaxDP=3.58D-03 DE=-6.81D-05 OVMax= 8.62D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.44D-05    CP:  1.29D+00  1.17D+00  1.08D+00  1.09D+00
 E= -365.864197965232     Delta-E=       -0.000003788356 Rises=F Damp=F
 DIIS: error= 2.75D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.864197965232     IErMin= 5 ErrMin= 2.75D-05
 ErrMax= 2.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-07 BMatP= 2.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-02-0.348D-01-0.123D-01 0.347D+00 0.699D+00
 Coeff:      0.134D-02-0.348D-01-0.123D-01 0.347D+00 0.699D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.56D-05 MaxDP=1.82D-03 DE=-3.79D-06 OVMax= 2.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.39D-05    CP:  1.29D+00  1.17D+00  1.09D+00  1.18D+00  1.04D+00
 E= -365.864198695361     Delta-E=       -0.000000730129 Rises=F Damp=F
 DIIS: error= 9.95D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.864198695361     IErMin= 6 ErrMin= 9.95D-06
 ErrMax= 9.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.34D-08 BMatP= 6.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.810D-03-0.959D-02-0.135D-01 0.215D-01 0.208D+00 0.793D+00
 Coeff:      0.810D-03-0.959D-02-0.135D-01 0.215D-01 0.208D+00 0.793D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=8.46D-06 MaxDP=6.34D-04 DE=-7.30D-07 OVMax= 1.33D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.36D-06    CP:  1.29D+00  1.17D+00  1.09D+00  1.21D+00  1.13D+00
                    CP:  1.19D+00
 E= -365.864198768850     Delta-E=       -0.000000073489 Rises=F Damp=F
 DIIS: error= 2.06D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.864198768850     IErMin= 7 ErrMin= 2.06D-06
 ErrMax= 2.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-09 BMatP= 4.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.614D-06 0.188D-02-0.683D-03-0.310D-01-0.360D-01 0.118D+00
 Coeff-Com:  0.948D+00
 Coeff:     -0.614D-06 0.188D-02-0.683D-03-0.310D-01-0.360D-01 0.118D+00
 Coeff:      0.948D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.42D-06 MaxDP=4.60D-04 DE=-7.35D-08 OVMax= 7.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.29D+00  1.17D+00  1.09D+00  1.23D+00  1.16D+00
                    CP:  1.37D+00  1.19D+00
 E= -365.864198778523     Delta-E=       -0.000000009673 Rises=F Damp=F
 DIIS: error= 1.64D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.864198778523     IErMin= 8 ErrMin= 1.64D-06
 ErrMax= 1.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-09 BMatP= 3.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-03 0.250D-02 0.188D-02-0.191D-01-0.526D-01-0.758D-01
 Coeff-Com:  0.474D+00 0.669D+00
 Coeff:     -0.128D-03 0.250D-02 0.188D-02-0.191D-01-0.526D-01-0.758D-01
 Coeff:      0.474D+00 0.669D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.82D-06 MaxDP=2.06D-04 DE=-9.67D-09 OVMax= 2.56D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.65D-07    CP:  1.29D+00  1.17D+00  1.09D+00  1.23D+00  1.17D+00
                    CP:  1.43D+00  1.34D+00  1.12D+00
 E= -365.864198780901     Delta-E=       -0.000000002378 Rises=F Damp=F
 DIIS: error= 2.54D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.864198780901     IErMin= 9 ErrMin= 2.54D-07
 ErrMax= 2.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-11 BMatP= 1.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-04 0.634D-04 0.212D-03 0.926D-03-0.185D-02-0.153D-01
 Coeff-Com: -0.370D-01 0.461D-01 0.101D+01
 Coeff:     -0.130D-04 0.634D-04 0.212D-03 0.926D-03-0.185D-02-0.153D-01
 Coeff:     -0.370D-01 0.461D-01 0.101D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=6.59D-07 MaxDP=6.54D-05 DE=-2.38D-09 OVMax= 8.19D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.33D-07    CP:  1.29D+00  1.17D+00  1.09D+00  1.24D+00  1.17D+00
                    CP:  1.45D+00  1.37D+00  1.23D+00  1.17D+00
 E= -365.864198780988     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 8.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.864198780988     IErMin=10 ErrMin= 8.76D-08
 ErrMax= 8.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-12 BMatP= 3.13D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.797D-05-0.223D-03-0.108D-03 0.226D-02 0.439D-02 0.208D-02
 Coeff-Com: -0.595D-01-0.488D-01 0.361D+00 0.739D+00
 Coeff:      0.797D-05-0.223D-03-0.108D-03 0.226D-02 0.439D-02 0.208D-02
 Coeff:     -0.595D-01-0.488D-01 0.361D+00 0.739D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.67D-07 MaxDP=1.41D-05 DE=-8.71D-11 OVMax= 1.83D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.00D-08    CP:  1.29D+00  1.17D+00  1.09D+00  1.24D+00  1.17D+00
                    CP:  1.45D+00  1.38D+00  1.25D+00  1.23D+00  1.10D+00
 E= -365.864198781005     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 2.67D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.864198781005     IErMin=11 ErrMin= 2.67D-08
 ErrMax= 2.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-13 BMatP= 7.03D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-05-0.751D-04-0.524D-04 0.640D-03 0.150D-02 0.214D-02
 Coeff-Com: -0.152D-01-0.194D-01 0.182D-01 0.232D+00 0.780D+00
 Coeff:      0.361D-05-0.751D-04-0.524D-04 0.640D-03 0.150D-02 0.214D-02
 Coeff:     -0.152D-01-0.194D-01 0.182D-01 0.232D+00 0.780D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.52D-08 MaxDP=2.10D-06 DE=-1.76D-11 OVMax= 5.16D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.53D-08    CP:  1.29D+00  1.17D+00  1.09D+00  1.24D+00  1.17D+00
                    CP:  1.45D+00  1.38D+00  1.26D+00  1.24D+00  1.18D+00
                    CP:  1.09D+00
 E= -365.864198781005     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 1.06D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -365.864198781005     IErMin=12 ErrMin= 1.06D-08
 ErrMax= 1.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-14 BMatP= 6.36D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-06 0.617D-05-0.339D-05-0.103D-03-0.155D-03 0.382D-03
 Coeff-Com:  0.358D-02 0.829D-03-0.466D-01-0.337D-01 0.259D+00 0.816D+00
 Coeff:      0.136D-06 0.617D-05-0.339D-05-0.103D-03-0.155D-03 0.382D-03
 Coeff:      0.358D-02 0.829D-03-0.466D-01-0.337D-01 0.259D+00 0.816D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=4.59D-07 DE= 2.27D-13 OVMax= 2.20D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.10D-09    CP:  1.29D+00  1.17D+00  1.09D+00  1.24D+00  1.17D+00
                    CP:  1.45D+00  1.38D+00  1.26D+00  1.24D+00  1.22D+00
                    CP:  1.16D+00  1.01D+00
 E= -365.864198781014     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 4.51D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -365.864198781014     IErMin=13 ErrMin= 4.51D-09
 ErrMax= 4.51D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.84D-15 BMatP= 8.67D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.244D-06 0.840D-05 0.255D-05-0.888D-04-0.184D-03-0.456D-04
 Coeff-Com:  0.255D-02 0.191D-02-0.187D-01-0.319D-01 0.310D-01 0.299D+00
 Coeff-Com:  0.716D+00
 Coeff:     -0.244D-06 0.840D-05 0.255D-05-0.888D-04-0.184D-03-0.456D-04
 Coeff:      0.255D-02 0.191D-02-0.187D-01-0.319D-01 0.310D-01 0.299D+00
 Coeff:      0.716D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.42D-09 MaxDP=1.28D-07 DE=-9.21D-12 OVMax= 5.03D-08

 SCF Done:  E(RwB97XD) =  -365.864198781     A.U. after   13 cycles
            NFock= 13  Conv=0.24D-08     -V/T= 2.0119
 KE= 3.615649638485D+02 PE=-1.697145227506D+03 EE= 5.443557123684D+02
 Leave Link  502 at Thu Aug 12 22:33:06 2021, MaxMem=  5368709120 cpu:             571.3 elap:              71.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.76701673D+02

 Leave Link  801 at Thu Aug 12 22:33:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 3.60D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.97D-01 6.53D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 3.46D-02 4.81D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.76D-03 1.21D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 2.00D-04 2.68D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 7.81D-06 3.73D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 2.76D-07 8.24D-05.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 6.80D-09 1.18D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 1.36D-10 2.04D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 2.79D-12 3.33D-07.
      8 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 5.59D-14 4.65D-08.
      2 vectors produced by pass 11 Test12= 1.29D-13 8.33D-09 XBig12= 7.13D-15 9.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132619D+03
      2  0.811985D+00  0.109299D+03
      3  0.248407D+01  0.437497D+01  0.724243D+02
 Isotropic polarizability for W=    0.085645      104.78 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.667509D+02  0.377417D+01  0.702354D+01
      2  -0.271720D+02 -0.725065D+01 -0.108234D+02
      3  -0.395789D+02  0.347648D+01  0.379985D+01
      4  -0.136465D+02  0.515814D+02  0.259583D+02
      5   0.190517D+02  0.275112D+02 -0.217230D+02
      6   0.958606D+01  0.672557D+01 -0.794454D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.790934D+00 -0.614705D+00  0.292892D+01
      2   0.114723D+02  0.109432D+02 -0.817745D+01
      3   0.330723D+00 -0.307740D+02 -0.108643D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.155295D+01  0.175490D+02  0.114210D+02
      2  -0.120282D+02  0.163722D+02  0.178559D+02
      3  -0.174207D+02 -0.787535D+02 -0.179252D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.427671D+00 -0.202430D+01 -0.156487D+01
      2  -0.202430D+01 -0.173457D+01  0.212568D+01
      3  -0.156487D+01  0.212568D+01  0.594833D+00
 OR G Eigenvalues:    -3.3282    -1.0558     3.6720  Iso=     0.2374
 Eigenvectors:
   (1)   0.330123   0.878828  -0.344501
   (2)   0.724471  -0.001933   0.689303
   (3)  -0.605113   0.477135   0.637323
 w=    0.085645 a.u., Optical Rotation Beta=      0.2374 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       92.89 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 9.09D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.37D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 3.54D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 3.79D-02 3.57D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 1.36D-03 6.22D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 2.39D-05 1.09D-03.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 3.29D-07 1.50D-04.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 3.44D-09 1.05D-05.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 2.43D-11 5.41D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 1.69D-13 4.61D-08.
     12 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 1.92D-15 5.63D-09.
      4 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 1.69D-15 7.09D-09.
      3 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 2.93D-15 6.44D-09.
      1 vectors produced by pass 11 Test12= 2.15D-14 2.78D-09 XBig12= 5.82D-16 4.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.33D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.14D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132619D+03  0.811985D+00  0.248407D+01
      2   0.811985D+00  0.109299D+03  0.437497D+01
      3   0.248407D+01  0.437497D+01  0.724243D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.790934D+00 -0.614705D+00  0.292892D+01
      2   0.114723D+02  0.109432D+02 -0.817745D+01
      3   0.330723D+00 -0.307740D+02 -0.108643D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.667509D+02  0.377417D+01  0.702354D+01
      2  -0.271720D+02 -0.725065D+01 -0.108234D+02
      3  -0.395789D+02  0.347648D+01  0.379985D+01
      4  -0.136465D+02  0.515814D+02  0.259583D+02
      5   0.190517D+02  0.275112D+02 -0.217230D+02
      6   0.958606D+01  0.672557D+01 -0.794454D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.257183D+01 -0.329453D+00 -0.478514D+00 -0.560793D+01 -0.341254D+00
      2  -0.329453D+00  0.255322D+01  0.797043D+00 -0.341254D+00 -0.941388D+00
      3  -0.478514D+00  0.797043D+00  0.138119D+01 -0.866750D+00  0.846656D+00
                 6             7             8             9            10 
      1  -0.866750D+00 -0.183593D+01 -0.227971D+00  0.284263D+01  0.387448D+01
      2   0.846656D+00 -0.227971D+00  0.150985D+01 -0.335768D+01  0.191331D+01
      3  -0.162102D+01  0.284263D+01 -0.335768D+01 -0.870793D+00  0.481783D+00
                11            12            13            14            15 
      1   0.191331D+01  0.481783D+00 -0.679159D+01 -0.874045D+00  0.933100D-01
      2  -0.286250D+01  0.960501D-01 -0.874045D+00 -0.164023D+01  0.846440D+00
      3   0.960501D-01 -0.891209D+00  0.933100D-01  0.846440D+00 -0.130901D+01
                16            17            18            19            20 
      1  -0.150658D+00  0.813834D+00 -0.836953D+00 -0.170532D+02 -0.251181D+01
      2   0.813834D+00  0.414850D+00 -0.330682D+01 -0.251181D+01 -0.272885D+01
      3  -0.836953D+00 -0.330682D+01 -0.235221D+01 -0.765416D+00 -0.276882D+00
                21            22            23            24            25 
      1  -0.765416D+00 -0.301034D+01  0.160842D+01  0.100276D+01 -0.777184D+00
      2  -0.276882D+00  0.160842D+01  0.300817D-01  0.510608D-01  0.948154D+00
      3  -0.160301D+01  0.100276D+01  0.510608D-01 -0.239450D+00 -0.373966D+01
                26            27            28            29            30 
      1   0.948154D+00 -0.373966D+01  0.511246D+01 -0.807471D+00  0.358515D+00
      2   0.138367D+00 -0.593774D+00 -0.807471D+00 -0.322729D+01 -0.824808D+00
      3  -0.593774D+00 -0.130147D+01  0.358515D+00 -0.824808D+00 -0.157312D+01
                31            32            33            34            35 
      1   0.821864D+01 -0.103490D+00  0.145213D+00  0.287620D+01 -0.345642D+00
      2  -0.103490D+00  0.182032D+01 -0.477598D+00 -0.345642D+00 -0.983267D+00
      3   0.145213D+00 -0.477598D+00  0.164130D+01 -0.166364D+01  0.363740D+01
                36            37            38            39            40 
      1  -0.166364D+01 -0.334376D+01 -0.814699D-01 -0.499626D+00  0.497665D+01
      2   0.363740D+01 -0.814699D-01  0.268938D+01 -0.226039D+00 -0.265762D-01
      3   0.985191D+00 -0.499626D+00 -0.226039D+00  0.806826D+00 -0.160936D+00
                41            42            43            44            45 
      1  -0.265762D-01 -0.160936D+00  0.205685D+00 -0.796513D+00  0.222619D+01
      2   0.121416D+01 -0.694685D+00 -0.796513D+00 -0.668669D+00  0.362191D+01
      3  -0.694685D+00  0.153007D+01  0.222619D+01  0.362191D+01  0.222606D+01
                46            47            48            49            50 
      1   0.601381D+01  0.269082D+00 -0.508644D+00  0.951709D+00 -0.574240D+00
      2   0.269082D+00  0.313650D+01  0.158078D+00 -0.574240D+00 -0.101900D+00
      3  -0.508644D+00  0.158078D+00  0.218663D+01 -0.110286D+01 -0.303985D+00
                51            52            53            54            55 
      1  -0.110286D+01 -0.523280D+00 -0.109185D+01  0.528749D+01  0.368762D+01
      2  -0.303985D+00 -0.109185D+01  0.108555D+00  0.128629D+00  0.194327D+01
      3  -0.144701D+00  0.528749D+01  0.128629D+00  0.106777D+01  0.409231D-01
                56            57            58            59            60 
      1   0.194327D+01  0.409231D-01  0.599559D+01  0.421910D+01 -0.988462D+00
      2   0.258388D+01 -0.113280D+01  0.421910D+01  0.734573D+00 -0.306175D+00
      3  -0.113280D+01  0.154263D+01 -0.988462D+00 -0.306175D+00  0.374698D+01
                61            62            63            64            65 
      1   0.316785D+00 -0.164056D+01  0.356868D+01  0.886102D+01  0.309522D+00
      2  -0.164056D+01 -0.146515D+01  0.371065D+01  0.309522D+00 -0.940316D+00
      3   0.356868D+01  0.371065D+01  0.497753D+01  0.124676D+01  0.857014D+00
                66            67            68            69            70 
      1   0.124676D+01  0.821776D+00 -0.210985D+01  0.140638D+01  0.137875D+01
      2   0.857014D+00 -0.210985D+01  0.276962D+01 -0.141585D+01  0.140284D+01
      3   0.723096D-01  0.140638D+01 -0.141585D+01 -0.182522D+01  0.210267D+00
                71            72            73            74            75 
      1   0.140284D+01  0.210267D+00  0.844394D+01  0.927259D+00  0.158754D+01
      2  -0.144388D+01 -0.142055D+01  0.927259D+00 -0.345815D+01  0.109690D+01
      3  -0.142055D+01 -0.462827D+01  0.158754D+01  0.109690D+01 -0.167005D+01
                76            77            78            79            80 
      1  -0.233567D+01 -0.385352D+01  0.153708D+01  0.452370D+01  0.217518D+01
      2  -0.385352D+01  0.278591D+01  0.795053D+00  0.217518D+01  0.192910D+01
      3   0.153708D+01  0.795053D+00 -0.306954D+01 -0.196090D+01 -0.308997D+01
                81            82            83            84            85 
      1  -0.196090D+01 -0.734887D-01  0.440293D+00  0.467876D+00  0.104778D+01
      2  -0.308997D+01  0.440293D+00  0.329724D-01 -0.246479D+00 -0.657790D+00
      3  -0.424990D+01  0.467876D+00 -0.246479D+00  0.243274D+00 -0.656441D+00
                86            87            88            89            90 
      1  -0.657790D+00 -0.656441D+00  0.200223D+01 -0.110411D+01 -0.983318D+00
      2   0.203582D+01  0.107326D+01 -0.110411D+01  0.233873D+01  0.250853D+01
      3   0.107326D+01  0.224836D+01 -0.983318D+00  0.250853D+01  0.468810D+01
                91            92            93            94            95 
      1  -0.187101D+01 -0.690933D+00 -0.160662D+01 -0.256656D+01 -0.157181D+01
      2  -0.690933D+00 -0.739200D+00 -0.212863D+00 -0.157181D+01 -0.124152D+01
      3  -0.160662D+01 -0.212863D+00 -0.136614D+01 -0.529551D+00 -0.139204D+01
                96            97            98            99           100 
      1  -0.529551D+00 -0.414391D+01 -0.471148D+00 -0.277400D+01 -0.401316D+00
      2  -0.139204D+01 -0.471148D+00 -0.144673D+01 -0.185885D+01  0.664421D-01
      3  -0.215882D+01 -0.277400D+01 -0.185885D+01 -0.722383D+01  0.616184D+00
               101           102           103           104           105 
      1   0.664421D-01  0.616184D+00  0.948077D+00  0.247596D+00 -0.475593D+00
      2   0.581349D+00 -0.148889D+00  0.247596D+00  0.390211D+00  0.853527D+00
      3  -0.148889D+00  0.103046D+01 -0.475593D+00  0.853527D+00  0.211738D+01
               106           107           108           109           110 
      1   0.119719D+01  0.819541D-01 -0.553637D+00  0.677929D+00 -0.858852D+00
      2   0.819541D-01  0.128697D+01  0.484058D+00 -0.858852D+00  0.198104D+01
      3  -0.553637D+00  0.484058D+00  0.713060D+01 -0.295849D+00 -0.422629D+00
               111           112           113           114           115 
      1  -0.295849D+00 -0.187887D+01  0.728939D+00  0.894669D-01 -0.660128D+00
      2  -0.422629D+00  0.728939D+00 -0.798558D+01  0.717271D+00 -0.307929D+00
      3   0.674455D+00  0.894669D-01  0.717271D+00 -0.114978D+01  0.303846D+00
               116           117           118           119           120 
      1  -0.307929D+00  0.303846D+00 -0.126416D+02 -0.242407D+01  0.784555D-01
      2  -0.111428D+00 -0.662972D+00 -0.242407D+01 -0.148513D+01  0.155612D+00
      3  -0.662972D+00  0.420670D+00  0.784555D-01  0.155612D+00 -0.122082D+01
               121           122           123           124           125 
      1  -0.749532D+00 -0.111869D+01 -0.200972D+00 -0.210791D+01 -0.472560D+00
      2  -0.111869D+01 -0.979433D+00 -0.817154D-01 -0.472560D+00 -0.626762D+00
      3  -0.200972D+00 -0.817154D-01  0.193921D+00 -0.101248D+01  0.225540D-01
               126           127           128           129           130 
      1  -0.101248D+01 -0.543956D+01  0.212372D+01 -0.278292D+00  0.191161D+01
      2   0.225540D-01  0.212372D+01 -0.227562D+01 -0.160634D+00 -0.251813D+01
      3   0.141698D-01 -0.278292D+00 -0.160634D+00 -0.213001D+00 -0.238053D+00
               131           132           133           134           135 
      1  -0.251813D+01 -0.238053D+00 -0.803092D+00 -0.312059D-01  0.278365D-01
      2   0.666138D+01  0.456241D+00 -0.312059D-01  0.317717D+00  0.615715D-01
      3   0.456241D+00  0.779668D+00  0.278365D-01  0.615715D-01 -0.475003D-01
               136           137           138           139           140 
      1   0.284653D+01  0.291250D+01  0.719662D+00  0.271970D+01  0.400613D+01
      2   0.291250D+01  0.307548D+01  0.714387D+00  0.400613D+01  0.845377D+01
      3   0.719662D+00  0.714387D+00  0.603500D+00  0.804443D+00  0.158804D+01
               141           142           143           144           145 
      1   0.804443D+00  0.738826D+00  0.948854D+00  0.270486D+00  0.130231D+02
      2   0.158804D+01  0.948854D+00  0.176321D+01  0.386020D+00  0.381548D+00
      3   0.118601D+01  0.270486D+00  0.386020D+00  0.259338D+00  0.125021D+01
               146           147           148           149           150 
      1   0.381548D+00  0.125021D+01  0.278649D+00  0.154641D+01  0.318822D+00
      2   0.788183D+00  0.744462D-02  0.154641D+01  0.150995D+00  0.157176D+00
      3   0.744462D-02  0.108353D+01  0.318822D+00  0.157176D+00  0.103104D+00
               151           152           153           154           155 
      1   0.156536D+01  0.331981D+00  0.126517D+00  0.393762D+01 -0.345859D+01
      2   0.331981D+00  0.996937D-01  0.289210D-01 -0.345859D+01  0.342220D+01
      3   0.126517D+00  0.289210D-01  0.177122D+00 -0.326817D+00  0.260341D+00
               156           157           158           159           160 
      1  -0.326817D+00 -0.334525D+01  0.435388D+01  0.615186D+00 -0.279091D+00
      2   0.260341D+00  0.435388D+01 -0.738385D+01 -0.853458D+00  0.448857D+00
      3   0.534333D+00  0.615186D+00 -0.853458D+00 -0.914337D+00  0.554930D-01
               161           162           163           164           165 
      1   0.448857D+00  0.554930D-01 -0.226749D+01 -0.191181D+01 -0.330460D+00
      2  -0.967534D+00 -0.218850D+00 -0.191181D+01 -0.202267D+01 -0.595017D+00
      3  -0.218850D+00 -0.153349D+00 -0.330460D+00 -0.595017D+00 -0.444427D+00
               166           167           168           169           170 
      1  -0.193793D+01 -0.233185D+01 -0.493004D+00 -0.468909D+00 -0.716420D+00
      2  -0.233185D+01 -0.713443D+01 -0.163041D+01 -0.716420D+00 -0.168007D+01
      3  -0.493004D+00 -0.163041D+01 -0.117977D+01 -0.144984D+00 -0.454743D+00
               171           172           173           174           175 
      1  -0.144984D+00 -0.108152D+02  0.178751D+01 -0.175767D+01  0.353469D+00
      2  -0.454743D+00  0.178751D+01 -0.110447D+01  0.104167D+00 -0.629241D+00
      3  -0.371339D+00 -0.175767D+01  0.104167D+00 -0.117736D+01 -0.300047D+00
               176           177           178           179           180 
      1  -0.629241D+00 -0.300047D+00 -0.305462D+01  0.542579D-01 -0.124985D+01
      2   0.361500D+00 -0.228811D+00  0.542579D-01 -0.513535D+00  0.373966D+00
      3  -0.228811D+00  0.648723D-01 -0.124985D+01  0.373966D+00 -0.747899D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.979152D+00 -0.103899D+00  0.193060D+01 -0.141506D+01  0.323916D+00
      2  -0.675486D+00  0.226734D+01  0.229054D+01 -0.940091D+00  0.286080D+01
      3  -0.102552D+01 -0.134481D+02 -0.219305D+01  0.411912D+01 -0.117282D+01
                 6             7             8             9            10 
      1  -0.191209D+01  0.688264D+01  0.252798D+01  0.152944D+01  0.408908D-02
      2  -0.405905D+01 -0.533922D+01 -0.102144D+02 -0.271856D+01  0.310198D+01
      3  -0.190287D+01 -0.378882D+00 -0.394988D+01  0.391388D+01 -0.547760D+00
                11            12            13            14            15 
      1   0.803699D+00 -0.135204D+01  0.126846D+01 -0.792225D+00 -0.222736D+01
      2   0.142071D+01 -0.490838D+00  0.138195D+01 -0.139819D+01 -0.161479D+01
      3  -0.162748D+01 -0.140887D+01  0.922922D+00  0.777810D+01  0.276740D+00
                16            17            18            19            20 
      1  -0.572743D+01  0.229330D+01 -0.129210D+01  0.658496D+00 -0.590487D+00
      2  -0.135327D+02 -0.120010D+01 -0.307503D+01  0.117803D+00 -0.145406D+01
      3  -0.439686D+01 -0.641283D+00  0.602714D+01 -0.687910D+01  0.736710D+01
                21            22            23            24            25 
      1  -0.674232D+00 -0.282682D+01 -0.140102D+01  0.803250D+00  0.106773D+01
      2  -0.179632D+01 -0.183060D+01  0.349493D+00  0.663993D+00 -0.127850D+02
      3   0.546140D+00  0.156999D+02 -0.138439D+00  0.381889D+00  0.119164D-01
                26            27            28            29            30 
      1   0.996997D+01  0.226414D+01 -0.120775D+01 -0.189286D+00  0.206186D+01
      2   0.450758D+00 -0.348054D+00  0.201476D+01 -0.212487D+00 -0.374619D+00
      3   0.312309D+01 -0.797389D+00  0.893246D+01 -0.126427D+01  0.186158D+01
                31            32            33            34            35 
      1  -0.106491D+01 -0.240174D+00 -0.218985D+01  0.524433D+01  0.242029D+01
      2   0.343903D+01  0.118127D+01  0.109040D+01 -0.131073D+02  0.502512D+00
      3   0.657257D+01 -0.582604D+01  0.273238D+00  0.256243D+01 -0.104973D+01
                36            37            38            39            40 
      1  -0.158286D+00  0.880609D+00  0.652209D+00 -0.116811D+01  0.113620D+01
      2  -0.400195D+00  0.171700D+00  0.110461D+01  0.592751D+00  0.941410D+00
      3  -0.547932D+01 -0.372988D+01 -0.104161D+02 -0.189747D+01  0.506796D+01
                41            42            43            44            45 
      1  -0.677704D-01 -0.214680D+01 -0.562092D+01  0.156234D+01 -0.705733D+00
      2  -0.263294D+01  0.407667D+01 -0.740526D+01  0.962230D+01  0.356943D+01
      3  -0.207670D+01  0.149413D+01 -0.836148D+00  0.200379D+01 -0.498423D+01
                46            47            48            49            50 
      1   0.111078D+00 -0.937885D+00 -0.436748D+00 -0.134020D+01 -0.250756D+01
      2  -0.119282D+00  0.548638D-01  0.623992D+01 -0.345025D+01 -0.122473D+00
      3   0.657259D+00 -0.676472D+01 -0.449357D-01  0.115257D+02  0.338251D+01
                51            52            53            54            55 
      1   0.123705D+01 -0.102613D+01  0.114353D+02  0.192358D+01 -0.181372D+01
      2  -0.400603D+00  0.818838D+01  0.530378D+00  0.186588D+01  0.141419D+01
      3   0.175484D+01  0.347101D+01  0.764099D+00  0.971146D+00  0.647709D+01
                56            57            58            59            60 
      1  -0.390168D+00  0.314874D+00 -0.213032D+01 -0.942003D+00  0.130139D+01
      2   0.198055D+01 -0.110417D+01  0.356008D+01  0.233254D+01 -0.578293D+01
      3   0.159586D+01 -0.106741D+01  0.124571D+02 -0.401316D+01  0.473651D+00
                61            62            63            64            65 
      1   0.413437D+01  0.668954D+01 -0.975851D+00 -0.322243D+01 -0.125962D+01
      2  -0.130772D+02 -0.739819D+01 -0.756525D+01  0.193975D+00 -0.120081D+01
      3  -0.117831D+01 -0.412361D+01  0.736256D+01  0.205934D+02 -0.779253D+01
                66            67            68            69            70 
      1   0.385706D-01 -0.678733D+00 -0.795358D+00 -0.787626D+00 -0.433963D+01
      2   0.351252D+01 -0.170077D+01  0.231182D+01  0.409770D+01 -0.389078D+01
      3   0.465079D+01  0.392793D+01  0.578822D+01 -0.256362D+01  0.543194D+01
                71            72            73            74            75 
      1   0.782542D+01  0.935016D+01  0.414769D+01 -0.180214D+01 -0.220108D+01
      2   0.553026D+01  0.104105D+02 -0.109635D+02 -0.468813D+01  0.595174D+01
      3  -0.209164D+01 -0.403791D+01 -0.904511D+01 -0.153437D+02  0.804526D+00
                76            77            78            79            80 
      1   0.374522D+00  0.837715D+01 -0.703494D+01 -0.123118D+01 -0.255197D+01
      2  -0.600015D+01 -0.222034D+00  0.671246D+01  0.148636D+01  0.669859D+01
      3  -0.942491D+01  0.169509D+02  0.279492D+00  0.170725D+01  0.160784D+01
                81            82            83            84            85 
      1  -0.720654D+01 -0.548497D+00  0.519132D+00 -0.206774D+00  0.119925D+01
      2   0.118028D+02 -0.186666D+01  0.837400D+00 -0.118199D+00  0.157341D+01
      3  -0.640007D+01  0.190286D+01  0.402405D+00  0.791052D-01  0.795477D+00
                86            87            88            89            90 
      1  -0.227474D+01 -0.518921D+01  0.236320D+01 -0.308261D+01 -0.104714D+02
      2  -0.274492D+01 -0.587387D+01  0.113138D+00 -0.649503D+01 -0.110996D+02
      3   0.427460D+01  0.210359D+01  0.856519D+00  0.589129D+01  0.618337D+01
                91            92            93            94            95 
      1  -0.821683D+00  0.118230D+01 -0.470228D+00  0.112476D+01  0.653665D+00
      2   0.153152D+01  0.416283D+00  0.263624D+01 -0.312557D+00  0.136794D+01
      3  -0.149748D+01 -0.355492D+01 -0.301038D+00 -0.167855D+01 -0.153076D+01
                96            97            98            99           100 
      1  -0.117556D+01 -0.126507D+01  0.197704D+01 -0.129206D+01  0.871247D+00
      2   0.395433D+01  0.100802D+01  0.298930D+01  0.117811D+02 -0.187219D+01
      3  -0.303538D+01  0.151607D+00 -0.305252D+01 -0.401331D+01  0.737854D+00
               101           102           103           104           105 
      1   0.968799D+00  0.101282D+01  0.115495D+00  0.210770D+01  0.199698D+01
      2   0.810427D-01 -0.214823D+01 -0.234560D+00 -0.232782D+01 -0.497092D+01
      3   0.108777D+01 -0.820971D+00  0.128243D+01  0.682143D+00  0.221426D+01
               106           107           108           109           110 
      1  -0.365051D+00  0.469111D+01  0.999921D+01 -0.184386D+01  0.159012D+01
      2  -0.288830D+01 -0.185146D+01 -0.173276D+02 -0.170055D+00  0.149934D+01
      3  -0.123158D+01  0.341078D+01  0.208768D+01 -0.657886D+01  0.689698D+01
               111           112           113           114           115 
      1   0.163998D+01  0.159391D+01 -0.579680D+01 -0.341850D+01  0.808704D+00
      2  -0.979205D+00  0.137245D+01 -0.272671D+01  0.210095D+01 -0.157938D+01
      3  -0.271066D-01  0.937007D+01 -0.220725D+02  0.136981D+01  0.121343D+01
               116           117           118           119           120 
      1  -0.823891D-01  0.284060D+00 -0.622772D+00 -0.804369D+00 -0.202917D+01
      2   0.120585D+01 -0.891425D+00  0.714377D+01  0.795771D+00  0.644417D+01
      3  -0.482443D+00 -0.224862D+01  0.978994D+01 -0.458834D+01  0.598701D+00
               121           122           123           124           125 
      1  -0.497332D+00 -0.781656D+00 -0.467107D+00 -0.129057D+01  0.657323D+00
      2   0.139249D+01  0.669601D+00 -0.277629D+00  0.203757D+01 -0.228701D+00
      3   0.495636D-01 -0.208256D+01 -0.279070D+00  0.493379D+00 -0.123124D+01
               126           127           128           129           130 
      1  -0.314972D-01  0.172019D+01 -0.347284D+00  0.160375D+01  0.135787D+00
      2   0.477423D+00  0.143309D+01 -0.147748D+00 -0.100729D+00 -0.431594D+00
      3   0.144622D+01 -0.167053D+02  0.462806D+01 -0.978964D+00  0.680768D+01
               131           132           133           134           135 
      1  -0.888730D-02 -0.324229D+01 -0.371304D+00  0.175481D+01  0.123632D+00
      2   0.797065D+00 -0.706793D+00 -0.136568D+01  0.322364D+00 -0.670350D-01
      3  -0.616573D+01 -0.803873D+00 -0.193932D+01  0.861656D-01  0.117157D+00
               136           137           138           139           140 
      1  -0.268142D+00 -0.234270D-01 -0.193095D+01 -0.126152D+00  0.471451D+00
      2   0.513741D+00  0.822108D+00  0.212770D+01  0.636525D+00  0.252965D+01
      3  -0.978185D+00 -0.314270D+01 -0.480438D+00 -0.196073D+01 -0.128828D+02
               141           142           143           144           145 
      1  -0.405724D+01  0.605967D+00  0.180908D+01 -0.510359D+00 -0.113124D+00
      2   0.353263D+01 -0.437751D+00 -0.200192D+00  0.610395D+00  0.182163D+01
      3  -0.219158D+01 -0.383003D+00 -0.252886D+01 -0.268648D+00  0.334852D+00
               146           147           148           149           150 
      1   0.425165D+00 -0.222121D+00  0.201445D+00  0.751423D-02 -0.314074D+00
      2  -0.137165D+00  0.646798D+01  0.124275D+01  0.341785D+00  0.378653D+00
      3  -0.527303D+01  0.250069D+00 -0.385652D+01 -0.269173D+00 -0.405155D+00
               151           152           153           154           155 
      1   0.699937D-01  0.445214D+00 -0.432587D-01  0.250305D+00 -0.587863D+00
      2  -0.241793D+01  0.883140D-01  0.640903D+00  0.264294D+00 -0.319419D+00
      3  -0.113206D+01 -0.568842D+00 -0.295457D+00  0.118475D+01 -0.442319D+01
               156           157           158           159           160 
      1   0.207122D+01  0.261898D+00  0.225063D+00 -0.364622D+01 -0.922210D+00
      2   0.237212D+01  0.459127D+00 -0.965331D+00 -0.330762D+01 -0.679854D+00
      3  -0.411638D-01 -0.302219D+01  0.119677D+02  0.102257D+01 -0.600770D+00
               161           162           163           164           165 
      1   0.149735D+01 -0.273130D+00  0.846309D+00  0.318117D+00 -0.170063D+01
      2   0.623900D+00 -0.300997D+00 -0.168907D+01 -0.964113D+00  0.199144D+00
      3   0.191496D+01  0.302542D+00  0.807608D+01  0.433123D+01  0.582300D+00
               166           167           168           169           170 
      1   0.641837D+00  0.969300D+00 -0.364262D+01  0.390395D+00  0.220968D+01
      2  -0.159983D+01 -0.160522D+01  0.334521D+00 -0.165850D+01 -0.492241D+00
      3   0.773705D+01  0.792342D+01  0.174288D+01  0.126378D+01  0.233937D+01
               171           172           173           174           175 
      1  -0.397753D+00  0.195111D+01  0.576885D+00  0.171841D+01  0.782953D+00
      2   0.157364D+00 -0.112325D+01  0.326374D-01  0.448853D+01  0.501179D+00
      3   0.235715D+00 -0.121067D+02 -0.331866D+01 -0.229942D+01 -0.774539D-01
               176           177           178           179           180 
      1   0.283714D+00 -0.982229D-01  0.999545D+00  0.599563D+00  0.713499D-01
      2   0.368233D-02  0.518996D-01  0.101626D+01 -0.891773D+00  0.123384D+01
      3  -0.109509D+00 -0.961377D+00 -0.508632D+01 -0.142131D+01 -0.122450D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237423D+01  0.221267D+02  0.450015D+01 -0.249754D+02  0.739228D+01
      2  -0.468193D+01 -0.137022D+02 -0.637279D+00  0.230111D+02 -0.112731D+02
      3   0.230771D+01 -0.842458D+01 -0.386288D+01  0.196431D+01  0.388087D+01
      4   0.187407D+02  0.265680D+01  0.425513D+01  0.664620D+01  0.110698D+02
      5   0.531516D+00  0.401069D+01  0.503829D+01 -0.340636D+01  0.694448D+01
      6   0.204006D+01 -0.313531D+01 -0.489423D+01  0.585744D+01 -0.522641D+01
                 6             7             8             9            10 
      1   0.900805D+00 -0.695529D+01  0.602876D+01  0.683676D+00  0.724411D+01
      2  -0.992942D+00  0.825466D+01 -0.819327D+01 -0.616617D+01 -0.598773D+01
      3   0.921368D-01 -0.129938D+01  0.216451D+01  0.548250D+01 -0.125638D+01
      4   0.765815D+01  0.245170D+01  0.695579D+01 -0.150090D+02 -0.129790D+02
      5  -0.840213D+01  0.177653D+02 -0.153778D+02 -0.687544D+01 -0.517638D+00
      6   0.473813D+01 -0.802228D+01  0.128896D+02 -0.144094D+01 -0.238251D+01
                11            12            13            14            15 
      1  -0.132536D+02 -0.382495D-01  0.133707D+01  0.730116D+01  0.472157D+01
      2   0.110968D+02 -0.683897D+00 -0.866285D+01 -0.996091D+01 -0.574494D+01
      3   0.215678D+01  0.722146D+00  0.732578D+01  0.265975D+01  0.102337D+01
      4  -0.170212D+02 -0.401729D+01  0.112905D+02 -0.120375D+02 -0.141849D+01
      5  -0.401984D+01 -0.314116D+01  0.121117D+01 -0.162242D+01 -0.109720D+01
      6  -0.162356D+01  0.313631D+01 -0.471154D+01 -0.854563D+01  0.273797D+01
                16            17            18            19            20 
      1   0.177987D+01  0.154066D+01 -0.157907D+02 -0.225688D+02 -0.135054D+00
      2  -0.442121D+01 -0.687429D+01  0.945962D+00  0.785681D+01 -0.174505D+00
      3   0.264134D+01  0.533363D+01  0.148448D+02  0.147120D+02  0.309558D+00
      4   0.164600D+00 -0.380747D+01 -0.599545D+01  0.121528D+02  0.296200D+01
      5  -0.177410D+00 -0.499416D+01 -0.521824D+01  0.559304D+00  0.291785D+00
      6   0.349390D+01  0.127166D+02  0.543462D+01 -0.938521D+00  0.100835D+00
                21            22            23            24            25 
      1   0.448324D+00  0.675902D+00 -0.797179D+01  0.128861D+00 -0.735929D+01
      2  -0.579103D+00 -0.156315D+01  0.124592D+02  0.360237D+01  0.186998D+01
      3   0.130778D+00  0.887243D+00 -0.448743D+01 -0.373123D+01  0.548931D+01
      4   0.739690D+00 -0.111013D+02 -0.275795D+01 -0.170055D+01 -0.294872D+01
      5  -0.476470D+00 -0.342612D+01 -0.101397D+01  0.123401D+01  0.268815D+01
      6   0.408340D+00 -0.272410D+01  0.232976D+01 -0.149393D+01 -0.969142D+00
                26            27            28            29            30 
      1  -0.882964D+00 -0.978384D+01  0.373232D+01  0.159144D+02  0.418738D+01
      2   0.148973D+01 -0.335894D+01 -0.402097D+01 -0.120825D+02 -0.151341D+01
      3  -0.606770D+00  0.131428D+02  0.288651D+00 -0.383193D+01 -0.267398D+01
      4  -0.302112D+01  0.267494D+01  0.911742D+01 -0.108280D+02 -0.239802D-01
      5   0.196916D+01 -0.778270D+00  0.130996D+01 -0.381598D+00 -0.422490D+00
      6   0.422389D+01 -0.366525D+01  0.346057D+01 -0.321396D+01 -0.451013D+01
                31            32            33            34            35 
      1  -0.129311D+01  0.330346D+01  0.224669D+01 -0.158242D+00  0.339078D+01
      2   0.999378D+01 -0.726752D+01 -0.172000D+01  0.263624D+01 -0.489754D+01
      3  -0.870068D+01  0.396407D+01 -0.526696D+00 -0.247800D+01  0.150676D+01
      4   0.503000D+01  0.134637D+02  0.212572D+01  0.134237D+01 -0.181311D+01
      5   0.137152D+01  0.199347D+01  0.845800D+00  0.358256D+01  0.309329D+01
      6   0.563644D+01 -0.303732D+01  0.541172D+01 -0.334286D+01  0.146193D+02
                36            37            38            39            40 
      1  -0.148894D+02  0.262395D+01 -0.212100D+02 -0.238200D+01  0.245953D+02
      2   0.297191D+01 -0.305988D+01  0.143069D+02  0.125285D+01 -0.219667D+02
      3   0.119175D+02  0.435928D+00  0.690311D+01  0.112914D+01 -0.262869D+01
      4   0.280311D+01 -0.126062D+02 -0.499103D+01 -0.515138D+01  0.700185D+01
      5  -0.119144D+01 -0.411914D+01 -0.487610D+01 -0.456644D+00 -0.241140D+00
      6   0.121946D+01 -0.549191D+01 -0.157134D+01  0.324528D+01 -0.446361D+01
                41            42            43            44            45 
      1   0.107404D+02  0.274484D+01  0.278876D+01 -0.267846D+01 -0.454571D+01
      2  -0.136930D+02 -0.525696D+01 -0.654377D+01 -0.512001D+01 -0.462426D+01
      3   0.295263D+01  0.251211D+01  0.375500D+01  0.779846D+01  0.916997D+01
      4  -0.406073D+01 -0.500636D+01 -0.491786D+01 -0.915472D+01  0.154861D+02
      5  -0.513575D+01  0.880507D+01  0.129828D+02  0.157995D+02  0.721124D+01
      6  -0.834120D+01  0.369398D+01  0.690708D+01  0.137026D+02  0.272693D+01
                46            47            48            49            50 
      1  -0.816301D+01 -0.696825D+00 -0.598474D+01  0.426297D+01 -0.217419D+02
      2   0.567552D+01  0.621757D+00  0.372718D+01 -0.248152D+01  0.179348D+02
      3   0.248749D+01  0.750682D-01  0.225756D+01 -0.178146D+01  0.380713D+01
      4  -0.119593D+01  0.223062D+02  0.127962D+01 -0.205656D+02 -0.615838D+01
      5  -0.762310D+01  0.112702D+01  0.137680D+02 -0.101016D+02 -0.276396D+01
      6   0.108487D+01  0.760810D+00  0.108689D+01 -0.275931D+01  0.330014D+01
                51            52            53            54            55 
      1  -0.652516D+01 -0.974186D+01 -0.688753D+01  0.146815D+02  0.145164D+02
      2   0.782716D+01  0.377553D+01  0.579223D+01 -0.182018D+02 -0.559369D+01
      3  -0.130200D+01  0.596633D+01  0.109530D+01  0.352036D+01 -0.892269D+01
      4  -0.358269D+01 -0.112383D+02  0.864451D+00 -0.654109D+00 -0.776873D+01
      5  -0.110813D+01  0.357664D+02  0.156314D+00  0.508140D+01  0.601979D-01
      6  -0.268919D+01  0.230851D+00  0.453063D+01 -0.294351D+01  0.783499D-01
                56            57            58            59            60 
      1   0.473682D+00 -0.314568D+00  0.247794D+01 -0.713943D+01  0.153358D+01
      2   0.210852D+01  0.631076D+00  0.381412D+01  0.370553D+01 -0.259450D+00
      3  -0.258220D+01 -0.316508D+00 -0.629205D+01  0.343390D+01 -0.127412D+01
      4  -0.157441D+02  0.439452D+01 -0.270208D+02 -0.204500D+01  0.274865D+01
      5   0.479346D+01 -0.102734D+02  0.789078D+01  0.180888D+01 -0.153354D+02
      6   0.215269D+01 -0.147217D+01  0.365262D+01  0.559415D+01 -0.987039D+01
                61            62            63            64            65 
      1   0.100291D+02  0.547784D+01  0.298136D+00 -0.406111D+02  0.491186D+01
      2   0.253701D+01  0.228655D+01  0.823091D+01  0.251545D+02 -0.545524D+01
      3  -0.125661D+02 -0.776439D+01 -0.852904D+01  0.154566D+02  0.543383D+00
      4   0.109917D+02  0.879816D+01 -0.195824D+02  0.123967D+02  0.101803D+02
      5  -0.181824D+02 -0.179251D+02 -0.204285D+02 -0.126229D+02 -0.383571D+01
      6  -0.101679D+02 -0.427622D+01 -0.501702D+01  0.325702D+01  0.231425D+01
                66            67            68            69            70 
      1  -0.926320D+01 -0.309728D+01 -0.187511D+01 -0.486476D+00 -0.917367D+01
      2   0.628571D+01 -0.181986D+01  0.140941D+02 -0.993230D+00  0.751564D+01
      3   0.297749D+01  0.491714D+01 -0.122190D+02  0.147971D+01  0.165803D+01
      4  -0.255186D+01  0.196738D+02 -0.180104D+02  0.781358D+01 -0.663996D+01
      5   0.323843D+01 -0.993154D+01  0.711197D+01  0.759075D+01  0.165370D+01
      6  -0.868647D+00  0.266185D+01 -0.829620D+01  0.257019D+01  0.251656D+01
                71            72            73            74            75 
      1   0.114493D+01 -0.165984D+01 -0.530856D+02 -0.164721D+02 -0.197849D+01
      2  -0.239199D+01 -0.618407D+01  0.218732D+02  0.157064D+02  0.383466D+01
      3   0.124706D+01  0.784392D+01  0.312124D+02  0.765697D+00 -0.185617D+01
      4   0.944271D+01  0.767778D+01 -0.185861D+02  0.136782D+02 -0.600526D+01
      5   0.704813D+01  0.218254D+02 -0.280319D+01 -0.340788D+01  0.965256D+01
      6  -0.877362D+00 -0.155110D+02 -0.404748D+01 -0.554632D+01  0.382135D+01
                76            77            78            79            80 
      1  -0.920497D+01  0.201997D+02  0.219311D+01 -0.107649D+02  0.276815D+00
      2   0.841027D+01 -0.231305D+02  0.550401D+01  0.490875D+01  0.209361D+01
      3   0.794693D+00  0.293086D+01 -0.769712D+01  0.585612D+01 -0.237042D+01
      4   0.181879D+02 -0.490123D+01 -0.490672D+01 -0.149342D+02 -0.979357D+01
      5  -0.789825D+01 -0.753004D+01  0.143627D+02  0.134068D+02  0.157326D+02
      6  -0.602967D+01 -0.310872D+01  0.765938D+01  0.734508D+01  0.849280D+01
                81            82            83            84            85 
      1   0.112928D+02  0.177862D+01 -0.307960D+01 -0.252883D+01 -0.441930D+01
      2   0.882812D+01 -0.701013D+00  0.106904D+01  0.515363D+00  0.105042D+01
      3  -0.201209D+02 -0.107761D+01  0.201056D+01  0.201347D+01  0.336888D+01
      4   0.190491D+02 -0.381662D+01  0.124671D+01  0.277608D+01  0.559428D+01
      5   0.160084D+02 -0.268683D+01  0.212117D+01  0.638269D+00  0.378101D+01
      6   0.249852D+00  0.183540D+01 -0.852055D+00  0.171134D+00 -0.223248D+01
                86            87            88            89            90 
      1  -0.323244D+01 -0.605494D+00 -0.684143D+01 -0.130656D+01 -0.590105D+01
      2   0.496622D+01  0.252426D+01  0.288737D+01  0.324026D+01  0.250607D+01
      3  -0.173378D+01 -0.191877D+01  0.395405D+01 -0.193370D+01  0.339498D+01
      4  -0.992842D+01 -0.607397D+01  0.873026D+01 -0.123535D+02 -0.121642D+02
      5  -0.529449D+01 -0.113992D+02  0.660320D+01 -0.123673D+02 -0.229157D+02
      6   0.484165D+01  0.948845D+01 -0.330942D+01  0.104923D+02  0.152623D+02
                91            92            93            94            95 
      1   0.430068D+01  0.128699D+01  0.382237D+01  0.909144D+00 -0.235856D+01
      2  -0.592401D+01 -0.123776D+01 -0.419273D+01 -0.225569D+01 -0.341381D+00
      3   0.162333D+01 -0.492347D-01  0.370358D+00  0.134654D+01  0.269994D+01
      4   0.424906D+01  0.667096D+01  0.223009D+01  0.960861D+01  0.585339D+01
      5   0.904508D+01  0.226163D+01  0.116818D+02  0.351014D+01  0.593884D+01
      6   0.286456D+01  0.148432D+00  0.156573D+01  0.198407D+01  0.447113D+01
                96            97            98            99           100 
      1  -0.294122D+01  0.284241D+01 -0.316451D+01 -0.104120D+02  0.317326D+01
      2  -0.844452D+00 -0.845506D+01 -0.218995D+01 -0.141799D+02 -0.365115D+01
      3   0.378567D+01  0.561265D+01  0.535447D+01  0.245919D+02  0.477885D+00
      4   0.623613D+01  0.304951D+01  0.681556D+01  0.882095D+01  0.100394D+01
      5   0.914868D+01  0.179932D+02  0.838325D+01  0.307746D+02 -0.222583D+01
      6   0.912327D+01  0.464137D+01  0.668415D+01  0.108336D+02 -0.245811D-01
               101           102           103           104           105 
      1   0.139824D+01 -0.586418D+01 -0.199533D+01 -0.428020D+01 -0.205444D+01
      2  -0.169983D+01  0.482707D+00  0.171625D+01  0.963557D+00 -0.544506D+01
      3   0.301594D+00  0.538147D+01  0.279073D+00  0.331664D+01  0.749950D+01
      4  -0.175132D+01 -0.410675D+00 -0.587158D+00 -0.287413D+01 -0.409891D+01
      5   0.908418D+00  0.374724D+00  0.390231D+01 -0.294631D+01 -0.937044D+01
      6   0.163266D+01 -0.131561D+01  0.205520D+00  0.190278D+01  0.289370D+01
               106           107           108           109           110 
      1  -0.589814D+01 -0.134721D+00 -0.167020D+02 -0.194384D+01  0.962528D+01
      2   0.429126D+01 -0.404064D+01 -0.168913D+02  0.451289D+01 -0.109307D+02
      3   0.160688D+01  0.417536D+01  0.335933D+02 -0.256905D+01  0.130543D+01
      4  -0.238239D+01 -0.651069D+01 -0.453830D+01  0.735315D+00 -0.355918D+01
      5   0.775914D+01 -0.221899D+01 -0.298003D+02  0.177144D+01 -0.491785D-01
      6   0.884838D+00  0.424363D+01 -0.926677D+01 -0.527002D-01  0.263346D+01
               111           112           113           114           115 
      1  -0.755674D+00  0.100247D+02 -0.264650D+02  0.227983D+01  0.169502D+01
      2  -0.170653D+00 -0.767834D+01  0.397869D+02 -0.109188D+01 -0.100377D+01
      3   0.926327D+00 -0.234637D+01 -0.133219D+02 -0.118795D+01 -0.691253D+00
      4   0.147136D+01  0.395656D+01  0.300031D+02 -0.295317D+01  0.238579D+01
      5  -0.210371D+01 -0.290295D+01 -0.820972D+00  0.433127D+01 -0.150699D+00
      6  -0.271862D+01  0.629642D+00 -0.851941D+01  0.657144D+01 -0.160974D+01
               116           117           118           119           120 
      1   0.927402D+00 -0.523953D+01  0.784419D+02  0.109947D+02  0.225283D+01
      2   0.673333D+00  0.282788D+01 -0.368874D+02 -0.221632D+01  0.369001D+00
      3  -0.160073D+01  0.241166D+01 -0.415545D+02 -0.877838D+01 -0.262183D+01
      4   0.127485D+01  0.119224D+01  0.334771D+02  0.167080D+02 -0.249270D+00
      5   0.188110D+01 -0.119902D+01 -0.924742D+01 -0.208701D+01  0.107444D+02
      6   0.591716D+01 -0.865839D+00 -0.621138D+00 -0.162470D+01  0.379067D+01
               121           122           123           124           125 
      1   0.298806D+01  0.494104D+01  0.237816D+00  0.976436D+01  0.796932D+00
      2   0.124880D+01  0.821635D+00 -0.454199D+00 -0.403024D+01  0.295588D+00
      3  -0.423685D+01 -0.576267D+01  0.216384D+00 -0.573412D+01 -0.109252D+01
      4   0.125380D+02  0.758677D+01  0.598138D+00  0.461003D+01  0.365831D+01
      5   0.241634D+00 -0.102463D+00 -0.427810D+00  0.940821D+01  0.533367D+00
      6  -0.853239D+00 -0.561779D+00  0.859049D+00  0.311004D+01  0.809020D+00
               126           127           128           129           130 
      1   0.564598D+01  0.168003D+01  0.666088D+01  0.133687D+01  0.825099D+01
      2  -0.501701D+01  0.207149D+01 -0.964931D+01 -0.935659D+00 -0.111043D+02
      3  -0.628977D+00 -0.375152D+01  0.298843D+01 -0.401211D+00  0.285332D+01
      4   0.149156D+01 -0.121630D+02  0.647973D+01  0.290239D+00  0.601055D+01
      5   0.434213D+00  0.919397D+00  0.965330D+00  0.487019D+00  0.100613D+01
      6   0.677662D+00 -0.144591D+01 -0.291668D+00 -0.176469D+01 -0.992494D+00
               131           132           133           134           135 
      1  -0.240322D+02 -0.198011D+01  0.142809D+01 -0.107739D+01 -0.616364D+00
      2   0.327321D+02  0.156236D+01 -0.142399D+01  0.165134D+01  0.111062D+01
      3  -0.869989D+01  0.417748D+00 -0.409838D-02 -0.573948D+00 -0.494258D+00
      4  -0.605073D+01 -0.510937D+00 -0.822018D+00  0.275251D+00 -0.143610D+01
      5  -0.940570D+00 -0.816370D+00  0.100598D+01 -0.829524D+00  0.167473D-01
      6   0.239546D+01  0.523212D+01 -0.605492D+00  0.166203D+01  0.270336D+00
               136           137           138           139           140 
      1   0.836717D+01  0.643860D+01  0.118296D+01  0.122320D+01 -0.100364D+02
      2   0.189472D+01  0.435820D+01  0.116325D-01  0.103743D+02  0.307396D+02
      3  -0.102619D+02 -0.107968D+02 -0.119459D+01 -0.115975D+02 -0.207032D+02
      4   0.222359D+02  0.251359D+02  0.516423D+01  0.271901D+02  0.468110D+02
      5   0.477783D+01  0.489974D+01  0.529988D+01  0.503360D+01  0.783219D+01
      6   0.349076D+01  0.388810D+01  0.328858D+01  0.490395D+01  0.101753D+02
               141           142           143           144           145 
      1  -0.212604D+01  0.983014D+00 -0.127351D+01 -0.126766D+01  0.985980D+02
      2   0.373337D+01  0.143953D+01  0.481379D+01  0.200605D+01 -0.566838D+02
      3  -0.160733D+01 -0.242255D+01 -0.354027D+01 -0.738391D+00 -0.419142D+02
      4   0.841307D+01  0.664407D+01  0.973527D+01  0.335344D+01  0.408224D+01
      5   0.631587D+01  0.217135D+01  0.277487D+01  0.198263D+01  0.116584D+02
      6   0.824665D+01  0.210624D+01  0.422168D+01  0.269337D+01 -0.190638D+01
               146           147           148           149           150 
      1   0.281964D+01  0.779714D+01  0.167534D+01  0.909584D+01  0.134188D+01
      2  -0.137676D+01 -0.545881D+01 -0.770192D+00 -0.455701D+01 -0.114729D+01
      3  -0.144288D+01 -0.233834D+01 -0.905150D+00 -0.453884D+01 -0.194592D+00
      4   0.865127D+01 -0.204817D-01  0.144422D+02  0.120338D+01  0.135764D+01
      5  -0.380206D-02  0.114785D+02  0.252318D+01  0.140290D+01  0.603680D+00
      6   0.540146D+00  0.360876D-01  0.998116D+00 -0.210344D+00  0.154154D+01
               151           152           153           154           155 
      1   0.109802D+02  0.154255D+01  0.352765D+01  0.152997D+02 -0.101396D+02
      2  -0.654776D+01 -0.989110D+00 -0.240330D+01 -0.677409D+00 -0.329611D+01
      3  -0.443245D+01 -0.553443D+00 -0.112435D+01 -0.146223D+02  0.134357D+02
      4   0.262186D+01  0.114716D+01  0.558847D+00 -0.283636D+02  0.287385D+02
      5   0.380198D+01  0.370238D+00  0.226276D+01 -0.358032D+01  0.264750D+01
      6   0.627772D-01  0.781900D+00  0.346842D+00  0.121645D+01 -0.103315D+01
               156           157           158           159           160 
      1  -0.136140D+01 -0.565666D+01 -0.174427D+01  0.762091D-01  0.328800D+00
      2   0.392391D+00 -0.858068D+01  0.228485D+02  0.103072D+01 -0.143763D+01
      3   0.969007D+00  0.142373D+02 -0.211042D+02 -0.110693D+01  0.110883D+01
      4   0.240317D+01  0.316678D+02 -0.462504D+02 -0.524803D+01  0.315242D+01
      5   0.513151D+01  0.465296D+01 -0.595654D+01 -0.583009D+01  0.168472D+01
      6  -0.294264D+01 -0.293503D+01  0.447588D+01  0.631030D+01 -0.138333D+01
               161           162           163           164           165 
      1  -0.959354D+00 -0.809849D+00 -0.474575D+01 -0.727674D+01 -0.290273D+01
      2   0.271145D+01  0.135132D+01  0.591312D+01  0.859990D+01  0.192418D+01
      3  -0.175210D+01 -0.541471D+00 -0.116737D+01 -0.132316D+01  0.978550D+00
      4  -0.510445D+01 -0.250461D+01  0.541238D+01  0.674926D+01  0.105620D+01
      5  -0.167701D+01 -0.903030D+00  0.224836D+00  0.770687D+00  0.148450D+01
      6   0.266738D+01  0.133059D+01  0.218016D+01  0.395969D+01  0.281873D+01
               166           167           168           169           170 
      1  -0.777153D+01 -0.275994D+02 -0.707562D+01 -0.229746D+01 -0.634300D+01
      2   0.979479D+01  0.352094D+02  0.618322D+01  0.252619D+01  0.720399D+01
      3  -0.202326D+01 -0.761005D+01  0.892396D+00 -0.228726D+00 -0.860981D+00
      4   0.597545D+01  0.198115D+01 -0.122124D-01  0.138486D+01  0.817610D+00
      5   0.575594D+00 -0.642463D+00  0.172662D+00  0.134962D+01  0.662373D+00
      6   0.317472D+01  0.112415D+02  0.804755D+01  0.135874D+01  0.414019D+01
               171           172           173           174           175 
      1  -0.253704D+01  0.658129D+02 -0.930489D+01  0.111581D+02 -0.548384D+00
      2   0.244949D+01 -0.354958D+02  0.341235D+01 -0.691126D+01 -0.144801D+01
      3   0.875502D-01 -0.303171D+02  0.589254D+01 -0.424685D+01  0.199639D+01
      4   0.186538D+01 -0.253122D+02  0.110297D+02 -0.325515D+01  0.707996D+01
      5   0.934354D+00  0.170524D+02 -0.176134D+01  0.102803D+02  0.220793D+01
      6   0.292735D+01 -0.459706D+01  0.760982D+00 -0.288238D+01  0.481187D+00
               176           177           178           179           180 
      1   0.263708D+01  0.247272D+01  0.149145D+02  0.664677D+00  0.574243D+01
      2  -0.306420D+00 -0.218379D+01 -0.104348D+02 -0.471709D+00 -0.448448D+01
      3  -0.233066D+01 -0.288939D+00 -0.447976D+01 -0.192968D+00 -0.125795D+01
      4  -0.208546D+01  0.104502D+01 -0.364579D+01  0.177352D+01 -0.308935D+01
      5   0.173721D+01  0.376320D+00  0.115063D+02 -0.220228D+01  0.526226D+01
      6  -0.505728D+00  0.135243D+01 -0.243532D+01  0.165736D+01 -0.887684D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:46:40 2021, MaxMem=  5368709120 cpu:            6494.8 elap:             814.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.43178 -10.33477 -10.30480 -10.29863 -10.29719
 Alpha  occ. eigenvalues --  -10.29703 -10.29606 -10.29277 -10.29205  -0.99194
 Alpha  occ. eigenvalues --   -0.94626  -0.85771  -0.83570  -0.81056  -0.72347
 Alpha  occ. eigenvalues --   -0.69310  -0.66372  -0.61540  -0.58155  -0.55145
 Alpha  occ. eigenvalues --   -0.53390  -0.51792  -0.50771  -0.50233  -0.49735
 Alpha  occ. eigenvalues --   -0.46887  -0.45735  -0.43951  -0.41955  -0.41270
 Alpha  occ. eigenvalues --   -0.33446  -0.32811  -0.31890
 Alpha virt. eigenvalues --    0.05677   0.06260   0.08573   0.10690   0.11455
 Alpha virt. eigenvalues --    0.12540   0.13492   0.13621   0.14733   0.16498
 Alpha virt. eigenvalues --    0.17549   0.18676   0.20079   0.20692   0.21321
 Alpha virt. eigenvalues --    0.21711   0.22061   0.23292   0.23958   0.24303
 Alpha virt. eigenvalues --    0.24964   0.25795   0.26709   0.27547   0.28351
 Alpha virt. eigenvalues --    0.29117   0.29688   0.30046   0.32285   0.32593
 Alpha virt. eigenvalues --    0.32690   0.33538   0.34165   0.34644   0.34932
 Alpha virt. eigenvalues --    0.36503   0.37030   0.37459   0.38429   0.38972
 Alpha virt. eigenvalues --    0.39434   0.39721   0.40146   0.40714   0.41614
 Alpha virt. eigenvalues --    0.42343   0.43043   0.43487   0.44319   0.44410
 Alpha virt. eigenvalues --    0.44909   0.45640   0.45876   0.46606   0.47167
 Alpha virt. eigenvalues --    0.47424   0.47761   0.48339   0.48543   0.49003
 Alpha virt. eigenvalues --    0.49480   0.50050   0.50430   0.50916   0.52159
 Alpha virt. eigenvalues --    0.52767   0.52905   0.53621   0.54367   0.54903
 Alpha virt. eigenvalues --    0.55426   0.56827   0.57384   0.58907   0.59377
 Alpha virt. eigenvalues --    0.60326   0.60862   0.61869   0.62581   0.63046
 Alpha virt. eigenvalues --    0.63830   0.64461   0.65408   0.66401   0.67105
 Alpha virt. eigenvalues --    0.67801   0.68255   0.68701   0.70058   0.71505
 Alpha virt. eigenvalues --    0.72370   0.73640   0.74404   0.75440   0.75847
 Alpha virt. eigenvalues --    0.77019   0.77719   0.78431   0.78918   0.81591
 Alpha virt. eigenvalues --    0.82600   0.83198   0.84522   0.85584   0.86547
 Alpha virt. eigenvalues --    0.87610   0.89744   0.90518   0.91239   0.94191
 Alpha virt. eigenvalues --    0.97172   0.97847   1.00972   1.02054   1.03897
 Alpha virt. eigenvalues --    1.05364   1.06070   1.06651   1.07717   1.08072
 Alpha virt. eigenvalues --    1.09192   1.10774   1.12546   1.13194   1.14671
 Alpha virt. eigenvalues --    1.16253   1.18175   1.20139   1.20700   1.22507
 Alpha virt. eigenvalues --    1.23017   1.24182   1.24929   1.26842   1.28355
 Alpha virt. eigenvalues --    1.29322   1.30720   1.32387   1.32862   1.34160
 Alpha virt. eigenvalues --    1.34964   1.36059   1.38838   1.40253   1.40905
 Alpha virt. eigenvalues --    1.45481   1.47609   1.49182   1.51001   1.52693
 Alpha virt. eigenvalues --    1.55539   1.58062   1.59217   1.60708   1.66293
 Alpha virt. eigenvalues --    1.68008   1.68664   1.69475   1.71886   1.73631
 Alpha virt. eigenvalues --    1.75745   1.78749   1.79020   1.82445   1.84827
 Alpha virt. eigenvalues --    1.87412   1.87873   1.88309   1.92671   1.93954
 Alpha virt. eigenvalues --    1.95916   1.97070   1.98424   1.99686   2.00825
 Alpha virt. eigenvalues --    2.02317   2.04480   2.05816   2.07203   2.08382
 Alpha virt. eigenvalues --    2.09990   2.10886   2.12265   2.12768   2.14786
 Alpha virt. eigenvalues --    2.18324   2.20218   2.21288   2.21908   2.25756
 Alpha virt. eigenvalues --    2.27170   2.28169   2.30338   2.32314   2.34833
 Alpha virt. eigenvalues --    2.38045   2.40624   2.42718   2.44438   2.45725
 Alpha virt. eigenvalues --    2.47192   2.49600   2.50926   2.53399   2.56605
 Alpha virt. eigenvalues --    2.57304   2.59174   2.60945   2.67007   2.69865
 Alpha virt. eigenvalues --    2.70983   2.74642   2.76361   2.78508   2.84153
 Alpha virt. eigenvalues --    2.92999   2.93462   2.94488   2.95730   2.96394
 Alpha virt. eigenvalues --    2.99405   3.04809   3.10207   3.12315   3.14477
 Alpha virt. eigenvalues --    3.18554   3.19502   3.23162   3.24969   3.29393
 Alpha virt. eigenvalues --    3.31960   3.42513   3.52355   3.72230   3.80535
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.998981  -0.757954   0.399530  -0.155705   0.513876  -0.081639
     2  C   -0.757954   7.388867  -0.463608   0.068172  -0.156688   0.515878
     3  C    0.399530  -0.463608   9.008501  -0.426874   0.494011  -0.161064
     4  C   -0.155705   0.068172  -0.426874   7.761439  -0.718714   0.546595
     5  C    0.513876  -0.156688   0.494011  -0.718714   7.169786  -0.049194
     6  C   -0.081639   0.515878  -0.161064   0.546595  -0.049194   6.193163
     7  C    0.094840  -0.428065  -0.023692  -0.629176   0.055958   0.043435
     8  N   -0.004739  -0.039725  -0.005775  -0.252326   0.070952   0.005996
     9  C   -0.004293   0.011294  -0.088327   0.051024  -0.006825   0.000675
    10  H    0.000696   0.005009  -0.001267  -0.029108   0.000221  -0.000243
    11  H   -0.001723   0.005806  -0.025725   0.096124  -0.004872  -0.004610
    12  H   -0.004806   0.003030  -0.018571   0.018642   0.001337   0.000106
    13  H    0.004817  -0.012925  -0.075737  -0.019896  -0.001538   0.000958
    14  H    0.000420  -0.012403   0.013928  -0.009432  -0.000325   0.000002
    15  H    0.173134   0.052252  -1.278445   0.410200  -0.865437  -0.048449
    16  H   -0.060139   0.133864   0.003540  -0.411944   0.151159  -0.432292
    17  H   -0.378866   0.012910   0.145368  -0.009259  -0.445026   0.185702
    18  H    0.134309  -0.411233   0.059708   0.154516  -0.053408  -0.420960
    19  H   -0.594436   0.499109  -0.885401   0.008978   0.169374  -0.045518
    20  H    0.000018   0.013456   0.037755   0.079683  -0.005233  -0.000442
               7          8          9         10         11         12
     1  C    0.094840  -0.004739  -0.004293   0.000696  -0.001723  -0.004806
     2  C   -0.428065  -0.039725   0.011294   0.005009   0.005806   0.003030
     3  C   -0.023692  -0.005775  -0.088327  -0.001267  -0.025725  -0.018571
     4  C   -0.629176  -0.252326   0.051024  -0.029108   0.096124   0.018642
     5  C    0.055958   0.070952  -0.006825   0.000221  -0.004872   0.001337
     6  C    0.043435   0.005996   0.000675  -0.000243  -0.004610   0.000106
     7  C    6.011342   0.345313   0.282829   0.142535   0.011615   0.134179
     8  N    0.345313   8.138057  -0.047084  -0.192257  -0.106385  -0.022734
     9  C    0.282829  -0.047084   4.274720  -0.025193   0.065818   0.271073
    10  H    0.142535  -0.192257  -0.025193   0.942664   0.011913   0.004210
    11  H    0.011615  -0.106385   0.065818   0.011913   0.959981  -0.013842
    12  H    0.134179  -0.022734   0.271073   0.004210  -0.013842   0.723086
    13  H    0.101633   0.012354   0.319009  -0.001484   0.004424  -0.061035
    14  H    0.104203   0.005889   0.258728   0.003171  -0.007607  -0.031767
    15  H   -0.288766  -0.432325   0.006786  -0.011345   0.027983   0.005838
    16  H   -0.001340   0.007851  -0.000044  -0.000445  -0.000578  -0.000319
    17  H   -0.002296  -0.000655  -0.000034   0.000041   0.000214   0.000035
    18  H    0.000215   0.001148  -0.000003  -0.000073  -0.002103   0.000267
    19  H   -0.198151  -0.015041   0.016917   0.001863   0.035767  -0.000805
    20  H    0.033340  -0.372971   0.007788   0.016226   0.041939   0.010265
              13         14         15         16         17         18
     1  C    0.004817   0.000420   0.173134  -0.060139  -0.378866   0.134309
     2  C   -0.012925  -0.012403   0.052252   0.133864   0.012910  -0.411233
     3  C   -0.075737   0.013928  -1.278445   0.003540   0.145368   0.059708
     4  C   -0.019896  -0.009432   0.410200  -0.411944  -0.009259   0.154516
     5  C   -0.001538  -0.000325  -0.865437   0.151159  -0.445026  -0.053408
     6  C    0.000958   0.000002  -0.048449  -0.432292   0.185702  -0.420960
     7  C    0.101633   0.104203  -0.288766  -0.001340  -0.002296   0.000215
     8  N    0.012354   0.005889  -0.432325   0.007851  -0.000655   0.001148
     9  C    0.319009   0.258728   0.006786  -0.000044  -0.000034  -0.000003
    10  H   -0.001484   0.003171  -0.011345  -0.000445   0.000041  -0.000073
    11  H    0.004424  -0.007607   0.027983  -0.000578   0.000214  -0.002103
    12  H   -0.061035  -0.031767   0.005838  -0.000319   0.000035   0.000267
    13  H    0.782271   0.031666  -0.004786   0.000132  -0.000018  -0.000288
    14  H    0.031666   0.603866  -0.002342   0.000016  -0.000002   0.000048
    15  H   -0.004786  -0.002342   2.995715  -0.585388   0.066279  -0.021047
    16  H    0.000132   0.000016  -0.585388   2.271627  -0.548370   0.061058
    17  H   -0.000018  -0.000002   0.066279  -0.548370   2.184710  -0.515236
    18  H   -0.000288   0.000048  -0.021047   0.061058  -0.515236   2.223586
    19  H    0.008819  -0.006052   0.051895  -0.019892   0.060757  -0.523203
    20  H   -0.005870  -0.005781   0.062425  -0.000450   0.000016  -0.000039
              19         20
     1  C   -0.594436   0.000018
     2  C    0.499109   0.013456
     3  C   -0.885401   0.037755
     4  C    0.008978   0.079683
     5  C    0.169374  -0.005233
     6  C   -0.045518  -0.000442
     7  C   -0.198151   0.033340
     8  N   -0.015041  -0.372971
     9  C    0.016917   0.007788
    10  H    0.001863   0.016226
    11  H    0.035767   0.041939
    12  H   -0.000805   0.010265
    13  H    0.008819  -0.005870
    14  H   -0.006052  -0.005781
    15  H    0.051895   0.062425
    16  H   -0.019892  -0.000450
    17  H    0.060757   0.000016
    18  H   -0.523203  -0.000039
    19  H    2.260495   0.002085
    20  H    0.002085   1.132253
 Mulliken charges:
               1
     1  C   -0.276322
     2  C   -0.427048
     3  C   -0.707857
     4  C   -0.532939
     5  C   -0.319416
     6  C   -0.248101
     7  C    0.210051
     8  N   -0.095544
     9  C    0.605142
    10  H    0.132868
    11  H   -0.094136
    12  H   -0.018188
    13  H   -0.082508
    14  H    0.053774
    15  H    0.685824
    16  H    0.431954
    17  H    0.243729
    18  H    0.312738
    19  H    0.172441
    20  H   -0.046463
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.036416
     2  C   -0.254607
     3  C   -0.707857
     4  C    0.152885
     5  C    0.112538
     6  C   -0.004372
     7  C    0.115915
     8  N   -0.009139
     9  C    0.558220
 Electronic spatial extent (au):  <R**2>=           1297.0725
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1296    Y=             -0.7651    Z=              0.6669  Tot=              1.5186
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.2420   YY=            -53.2922   ZZ=            -58.1138
   XY=              0.3821   XZ=             -0.1878   YZ=              3.5459
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.6407   YY=             -0.4096   ZZ=             -5.2311
   XY=              0.3821   XZ=             -0.1878   YZ=              3.5459
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.1822  YYY=             -1.5027  ZZZ=              0.0891  XYY=              3.9362
  XXY=              3.7034  XXZ=              0.5606  XZZ=             -8.6046  YZZ=              0.0758
  YYZ=              3.7157  XYZ=             -2.7253
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1087.2510 YYYY=           -425.3696 ZZZZ=           -122.5444 XXXY=            -27.0012
 XXXZ=             22.2800 YYYX=             -0.9442 YYYZ=             16.5217 ZZZX=              0.6231
 ZZZY=              2.2646 XXYY=           -265.2313 XXZZ=           -233.2345 YYZZ=           -100.2708
 XXYZ=             11.5991 YYXZ=             -6.2886 ZZXY=             -1.2511
 N-N= 4.253603525084D+02 E-N=-1.697145227284D+03  KE= 3.615649638485D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:46:40 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2430   -1.2420        0.4074    0.4060
 2      1.2430    1.2420       -2.1887   -2.1875      -11.6668  -11.6601
 3     -0.4074   -0.4060       30.1040   30.0973        2.1876    2.1875
 4      2.1887    2.1875        0.0000    0.0000       -0.4075   -0.4060
 5    -18.4372  -18.4372        0.4075    0.4060       -1.2442   -1.2420
 6     -2.1876   -2.1875        1.2442    1.2420       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.7261    3.7261        1.2180    1.2180
 2      6.5625    6.5625       -0.0000    0.0000        1.2180    1.2180
 3      6.5625    6.5625        3.7261    3.7261        0.0000    0.0000
 4      3.7261    3.7261       -6.5625   -6.5625      -34.9802  -34.9802
 5     -1.2180   -1.2180       90.2918   90.2918        6.5625    6.5625
 6    -55.3116  -55.3116        1.2180    1.2180       -3.7261   -3.7261
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4487    0.0000        4.2818    4.9681        0.0754   -1.6240
 2     -4.9408   -4.9681        8.6578    8.7499       46.1662   46.6403
 3      1.7875    1.6240     -120.5121 -120.3891       -8.0102   -8.7499
 4     -8.7988   -8.7499        0.0270    0.0000        1.7882    1.6240
 5     73.7464   73.7488       -1.5752   -1.6240        5.1205    4.9681
 6      8.7928    8.7499       -4.9711   -4.9681       -0.0762    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2231    0.0000        3.5502    3.2596      -11.1710  -10.8576
 2     -3.3588   -3.2596      -39.0033  -38.9515      -23.8259  -23.4682
 3     10.2586   10.8576      -21.0059  -20.1468       45.9926   38.9515
 4     38.9680   38.9515       -0.2308    0.0000       10.8140   10.8576
 5     44.1405   43.6150      -11.0299  -10.8576        3.2198    3.2596
 6    -39.0976  -38.9515       -3.1513   -3.2596        0.1933    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     12.1370   12.4069        5.4827    5.7020       12.5032   12.3261
 2     73.2458   73.3044       -0.6257   -0.2977       12.3183   12.3261
 3     73.2175   73.3044        5.2821    5.7020       18.0223   17.8469
 4      6.0652    5.9997      -60.5613  -60.8975      -29.1878  -29.6385
 5      4.9917    5.5208      -39.1083  -38.9562       65.5433   60.8975
 6     69.0058   68.5948       -6.0734   -5.5208       -4.4344   -5.9997
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.3868                 3.8456                 0.1739
  Dep-P Fr= 1--      0.7438                 0.7243                 0.6003
  Dep-U Fr= 1--      0.8531                 0.8401                 0.7502
 Alpha2 Fr= 1--      0.0003                 0.0017                 0.0005
 Beta2  Fr= 1--      0.3393                 0.5384                 0.0217
 AlphaG Fr= 1--      0.0009                -0.0002                 0.0010
 Gamma2 Fr= 1--     -1.3269                -0.7516                 0.0115
 Delta2 Fr= 1--     -0.9788                -0.3423                 0.1299
 Raman1 Fr= 1--       9.547                 15.382                  0.695
 ROA1   Fr= 1--    -158.707                -83.103                  5.255
 CID1   Fr= 1--     -16.624                 -5.403                  7.556
 Raman2 Fr= 1--       4.072                  6.461                  0.261
 ROA2   Fr= 1--     -24.016                -15.300                 -0.764
 CID2   Fr= 1--      -5.898                 -2.368                 -2.929
 Raman3 Fr= 1--       8.144                 12.923                  0.522
 ROA3   Fr= 1--    -158.707                -83.103                  5.255
 CID3   Fr= 1--     -19.487                 -6.431                 10.072
 RC180  Fr= 1--       0.706                  0.680                  0.500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.1713                 0.5244                 1.1024
  Dep-P Fr= 1--      0.7492                 0.6375                 0.0517
  Dep-U Fr= 1--      0.8566                 0.7786                 0.0984
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0217
 Beta2  Fr= 1--      0.0245                 0.0681                 0.0181
 AlphaG Fr= 1--      0.0001                -0.0043                 0.0093
 Gamma2 Fr= 1--      0.1137                 0.3122                 0.0366
 Delta2 Fr= 1--     -0.0247                -0.0675                -0.0088
 Raman1 Fr= 1--       0.685                  2.098                  4.410
 ROA1   Fr= 1--      10.121                 27.810                  3.236
 CID1   Fr= 1--      14.767                 13.257                  0.734
 Raman2 Fr= 1--       0.294                  0.817                  0.217
 ROA2   Fr= 1--       2.926                  8.032                  0.950
 CID2   Fr= 1--       9.968                  9.835                  4.380
 Raman3 Fr= 1--       0.587                  1.633                  0.434
 ROA3   Fr= 1--      10.121                 27.810                  3.236
 CID3   Fr= 1--      17.239                 17.027                  7.459
 RC180  Fr= 1--       0.713                  0.557                 -0.803
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      0.9668                 0.0436                 2.6164
  Dep-P Fr= 1--      0.7201                 0.4433                 0.1092
  Dep-U Fr= 1--      0.8373                 0.6143                 0.1969
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0448
 Beta2  Fr= 1--      0.1349                 0.0045                 0.0859
 AlphaG Fr= 1--     -0.0012                -0.0030                 0.0285
 Gamma2 Fr= 1--      0.5111                -0.3566                 0.1668
 Delta2 Fr= 1--      0.0603                -0.0466                -0.0488
 Raman1 Fr= 1--       3.867                  0.174                 10.466
 ROA1   Fr= 1--      50.993                -35.728                 14.450
 CID1   Fr= 1--      13.185               -205.023                  1.381
 Raman2 Fr= 1--       1.619                  0.054                  1.030
 ROA2   Fr= 1--      11.783                 -8.186                  4.394
 CID2   Fr= 1--       7.278               -152.951                  4.265
 Raman3 Fr= 1--       3.238                  0.107                  2.061
 ROA3   Fr= 1--      50.993                -35.728                 14.450
 CID3   Fr= 1--      15.748               -333.758                  7.013
 RC180  Fr= 1--       0.675                  0.229                 -0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      1.9886                 0.7983                 4.2720
  Dep-P Fr= 1--      0.2310                 0.7449                 0.7500
  Dep-U Fr= 1--      0.3753                 0.8538                 0.8571
 Alpha2 Fr= 1--      0.0248                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1244                 0.1136                 0.6103
 AlphaG Fr= 1--     -0.0139                 0.0005                 0.0001
 Gamma2 Fr= 1--     -0.3613                 0.0592                 0.0051
 Delta2 Fr= 1--     -0.0626                 0.0435                 0.0168
 Raman1 Fr= 1--       7.954                  3.193                 17.088
 ROA1   Fr= 1--     -36.688                  7.077                  1.025
 CID1   Fr= 1--      -4.612                  2.216                  0.060
 Raman2 Fr= 1--       1.493                  1.363                  7.323
 ROA2   Fr= 1--      -8.170                  1.074                 -0.013
 CID2   Fr= 1--      -5.474                  0.788                 -0.002
 Raman3 Fr= 1--       2.985                  2.726                 14.646
 ROA3   Fr= 1--     -36.688                  7.077                  1.025
 CID3   Fr= 1--     -12.290                  2.596                  0.070
 RC180  Fr= 1--      -0.249                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.0721                12.4285                 4.4369
  Dep-P Fr= 1--      0.1689                 0.0497                 0.2285
  Dep-U Fr= 1--      0.2890                 0.0946                 0.3720
 Alpha2 Fr= 1--      0.0011                 0.2457                 0.0558
 Beta2  Fr= 1--      0.0035                 0.1960                 0.2751
 AlphaG Fr= 1--      0.0029                -0.0736                 0.0017
 Gamma2 Fr= 1--      0.0610                 1.3722                 0.5820
 Delta2 Fr= 1--      0.0402                 0.5564                -0.2423
 Raman1 Fr= 1--       0.288                 49.714                 17.748
 ROA1   Fr= 1--       7.137                149.541                 48.121
 CID1   Fr= 1--      24.743                  3.008                  2.711
 Raman2 Fr= 1--       0.042                  2.352                  3.301
 ROA2   Fr= 1--       1.141                 28.482                 15.907
 CID2   Fr= 1--      27.380                 12.111                  4.819
 Raman3 Fr= 1--       0.083                  4.704                  6.602
 ROA3   Fr= 1--       7.137                149.541                 48.121
 CID3   Fr= 1--      85.612                 31.793                  7.289
 RC180  Fr= 1--      -0.422                 -0.811                 -0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      1.5601                 0.2930                 2.6261
  Dep-P Fr= 1--      0.6850                 0.7302                 0.5848
  Dep-U Fr= 1--      0.8131                 0.8441                 0.7380
 Alpha2 Fr= 1--      0.0018                 0.0001                 0.0081
 Beta2  Fr= 1--      0.2114                 0.0412                 0.3230
 AlphaG Fr= 1--     -0.0022                -0.0009                -0.0251
 Gamma2 Fr= 1--     -0.1961                -0.2409                -1.9203
 Delta2 Fr= 1--     -0.2150                -0.0002                -1.3928
 Raman1 Fr= 1--       6.241                  1.172                 10.504
 ROA1   Fr= 1--     -25.702                -23.136               -228.916
 CID1   Fr= 1--      -4.119                -19.737                -21.792
 Raman2 Fr= 1--       2.537                  0.495                  3.876
 ROA2   Fr= 1--      -2.986                 -5.781                -34.944
 CID2   Fr= 1--      -1.177                -11.687                 -9.015
 Raman3 Fr= 1--       5.074                  0.989                  7.752
 ROA3   Fr= 1--     -25.702                -23.136               -228.916
 CID3   Fr= 1--      -5.066                -23.383                -29.529
 RC180  Fr= 1--       0.626                  0.688                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      1.4542                 0.3281                 0.5176
  Dep-P Fr= 1--      0.2851                 0.2071                 0.1214
  Dep-U Fr= 1--      0.4437                 0.3431                 0.2165
 Alpha2 Fr= 1--      0.0156                 0.0044                 0.0086
 Beta2  Fr= 1--      0.1075                 0.0188                 0.0187
 AlphaG Fr= 1--     -0.0206                 0.0074                 0.0084
 Gamma2 Fr= 1--     -1.1571                 0.8125                 0.0583
 Delta2 Fr= 1--      0.1638                -0.1797                 0.0121
 Raman1 Fr= 1--       5.817                  1.312                  2.070
 ROA1   Fr= 1--    -105.841                 72.248                  5.984
 CID1   Fr= 1--     -18.196                 55.057                  2.890
 Raman2 Fr= 1--       1.290                  0.225                  0.224
 ROA2   Fr= 1--     -29.081                 20.938                  1.302
 CID2   Fr= 1--     -22.537                 92.995                  5.810
 Raman3 Fr= 1--       2.581                  0.450                  0.448
 ROA3   Fr= 1--    -105.841                 72.248                  5.984
 CID3   Fr= 1--     -41.013                160.445                 13.347
 RC180  Fr= 1--      -0.113                 -0.314                 -0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      3.0562                47.5776                27.1498
  Dep-P Fr= 1--      0.4108                 0.0594                 0.0715
  Dep-U Fr= 1--      0.5824                 0.1121                 0.1334
 Alpha2 Fr= 1--      0.0218                 0.9190                 0.5094
 Beta2  Fr= 1--      0.2967                 0.8892                 0.6036
 AlphaG Fr= 1--      0.0094                -0.0540                -0.0397
 Gamma2 Fr= 1--      0.6973                -0.1388                -0.7896
 Delta2 Fr= 1--      0.7117                -0.0485                -0.4724
 Raman1 Fr= 1--      12.225                190.311                108.599
 ROA1   Fr= 1--      89.715                -14.876                -90.918
 CID1   Fr= 1--       7.339                 -0.078                 -0.837
 Raman2 Fr= 1--       3.560                 10.670                  7.243
 ROA2   Fr= 1--      11.042                 -2.943                -15.171
 CID2   Fr= 1--       3.102                 -0.276                 -2.094
 Raman3 Fr= 1--       7.120                 21.341                 14.486
 ROA3   Fr= 1--      89.715                -14.876                -90.918
 CID3   Fr= 1--      12.601                 -0.697                 -6.276
 RC180  Fr= 1--       0.165                 -0.776                 -0.733
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--      7.6740                 0.9314                 9.3721
  Dep-P Fr= 1--      0.4126                 0.5269                 0.1086
  Dep-U Fr= 1--      0.5842                 0.6902                 0.1959
 Alpha2 Fr= 1--      0.0543                 0.0040                 0.1607
 Beta2  Fr= 1--      0.7472                 0.1071                 0.3060
 AlphaG Fr= 1--     -0.0520                 0.0160                 0.0166
 Gamma2 Fr= 1--     -0.0381                -1.4955                 0.6461
 Delta2 Fr= 1--      0.8904                -0.5570                -0.2654
 Raman1 Fr= 1--      30.696                  3.726                 37.488
 ROA1   Fr= 1--      24.830               -161.389                 53.531
 CID1   Fr= 1--       0.809                -43.318                  1.428
 Raman2 Fr= 1--       8.966                  1.286                  3.671
 ROA2   Fr= 1--      -8.038                -31.435                 17.630
 CID2   Fr= 1--      -0.897                -24.450                  4.802
 Raman3 Fr= 1--      17.932                  2.571                  7.343
 ROA3   Fr= 1--      24.830               -161.389                 53.531
 CID3   Fr= 1--       1.385                -62.762                  7.290
 RC180  Fr= 1--       0.168                  0.380                 -0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.5320                 1.6647                 8.1472
  Dep-P Fr= 1--      0.7293                 0.4106                 0.7267
  Dep-U Fr= 1--      0.8435                 0.5822                 0.8417
 Alpha2 Fr= 1--      0.0013                 0.0119                 0.0033
 Beta2  Fr= 1--      0.4965                 0.1615                 1.1430
 AlphaG Fr= 1--     -0.0003                -0.0067                 0.0098
 Gamma2 Fr= 1--      0.2618                -1.6794                -0.1265
 Delta2 Fr= 1--      0.2573                -0.3067                 0.4091
 Raman1 Fr= 1--      14.128                  6.659                 32.589
 ROA1   Fr= 1--      33.362               -171.035                  0.945
 CID1   Fr= 1--       2.361                -25.686                  0.029
 Raman2 Fr= 1--       5.958                  1.938                 13.715
 ROA2   Fr= 1--       4.224                -37.851                 -6.309
 CID2   Fr= 1--       0.709                -19.529                 -0.460
 Raman3 Fr= 1--      11.917                  3.876                 27.431
 ROA3   Fr= 1--      33.362               -171.035                  0.945
 CID3   Fr= 1--       2.800                -44.122                  0.034
 RC180  Fr= 1--       0.687                  0.164                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     13.5786                10.0591                 1.4105
  Dep-P Fr= 1--      0.0555                 0.3833                 0.0944
  Dep-U Fr= 1--      0.1052                 0.5542                 0.1726
 Alpha2 Fr= 1--      0.2647                 0.0790                 0.0250
 Beta2  Fr= 1--      0.2380                 0.9291                 0.0406
 AlphaG Fr= 1--     -0.1160                -0.0544                 0.0239
 Gamma2 Fr= 1--      0.8580                -1.2951                 0.5083
 Delta2 Fr= 1--      0.6358                -0.8502                 0.0865
 Raman1 Fr= 1--      54.314                 40.236                  5.642
 ROA1   Fr= 1--     102.716               -151.537                 51.561
 CID1   Fr= 1--       1.891                 -3.766                  9.139
 Raman2 Fr= 1--       2.856                 11.149                  0.487
 ROA2   Fr= 1--      15.505                -24.281                 11.506
 CID2   Fr= 1--       5.429                 -2.178                 23.633
 Raman3 Fr= 1--       5.712                 22.299                  0.974
 ROA3   Fr= 1--     102.716               -151.537                 51.561
 CID3   Fr= 1--      17.983                 -6.796                 52.953
 RC180  Fr= 1--      -0.790                  0.108                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      2.6527                 1.0513                 4.5273
  Dep-P Fr= 1--      0.4036                 0.6129                 0.7154
  Dep-U Fr= 1--      0.5751                 0.7600                 0.8341
 Alpha2 Fr= 1--      0.0194                 0.0026                 0.0027
 Beta2  Fr= 1--      0.2543                 0.1332                 0.6293
 AlphaG Fr= 1--     -0.0298                 0.0036                 0.0109
 Gamma2 Fr= 1--      0.1194                 0.0757                -0.4527
 Delta2 Fr= 1--     -0.2016                -0.3039                 1.2210
 Raman1 Fr= 1--      10.611                  4.205                 18.109
 ROA1   Fr= 1--       5.011                 -2.456                 -4.388
 CID1   Fr= 1--       0.472                 -0.584                 -0.242
 Raman2 Fr= 1--       3.051                  1.598                  7.552
 ROA2   Fr= 1--       4.479                  4.248                -20.633
 CID2   Fr= 1--       1.468                  2.659                 -2.732
 Raman3 Fr= 1--       6.102                  3.196                 15.104
 ROA3   Fr= 1--       5.011                 -2.456                 -4.388
 CID3   Fr= 1--       0.821                 -0.768                 -0.290
 RC180  Fr= 1--       0.150                  0.520                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.2474                 4.0531                 3.1999
  Dep-P Fr= 1--      0.7350                 0.7407                 0.5862
  Dep-U Fr= 1--      0.8473                 0.8510                 0.7391
 Alpha2 Fr= 1--      0.0003                 0.0006                 0.0098
 Beta2  Fr= 1--      0.1762                 0.5749                 0.3942
 AlphaG Fr= 1--     -0.0035                 0.0061                 0.0171
 Gamma2 Fr= 1--      4.2888                -1.3663                -0.0096
 Delta2 Fr= 1--     -1.3564                 0.0112                 0.6351
 Raman1 Fr= 1--       4.990                 16.212                 12.800
 ROA1   Fr= 1--     368.323               -130.810                 19.403
 CID1   Fr= 1--      73.818                 -8.069                  1.516
 Raman2 Fr= 1--       2.114                  6.899                  4.730
 ROA2   Fr= 1--     113.783                -32.882                 -5.310
 CID2   Fr= 1--      53.828                 -4.766                 -1.123
 Raman3 Fr= 1--       4.228                 13.797                  9.460
 ROA3   Fr= 1--     368.323               -130.810                 19.403
 CID3   Fr= 1--      87.122                 -9.481                  2.051
 RC180  Fr= 1--       0.695                  0.702                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.9920                 8.6149                35.4229
  Dep-P Fr= 1--      0.4823                 0.6944                 0.6315
  Dep-U Fr= 1--      0.6507                 0.8197                 0.7742
 Alpha2 Fr= 1--      0.0053                 0.0084                 0.0762
 Beta2  Fr= 1--      0.1076                 1.1769                 4.5705
 AlphaG Fr= 1--     -0.0117                 0.0181                 0.0319
 Gamma2 Fr= 1--     -1.2293                -0.6111                -2.0132
 Delta2 Fr= 1--      0.0773                 0.0159                -0.9358
 Raman1 Fr= 1--       3.968                 34.459                141.692
 ROA1   Fr= 1--    -115.536                -58.152               -223.215
 CID1   Fr= 1--     -29.118                 -1.688                 -1.575
 Raman2 Fr= 1--       1.291                 14.122                 54.846
 ROA2   Fr= 1--     -30.120                -14.792                -40.832
 CID2   Fr= 1--     -23.331                 -1.047                 -0.744
 Raman3 Fr= 1--       2.582                 28.245                109.691
 ROA3   Fr= 1--    -115.536                -58.152               -223.215
 CID3   Fr= 1--     -44.746                 -2.059                 -2.035
 RC180  Fr= 1--       0.301                  0.639                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      7.5846               155.1879               147.7995
  Dep-P Fr= 1--      0.4894                 0.1530                 0.0302
  Dep-U Fr= 1--      0.6571                 0.2655                 0.0586
 Alpha2 Fr= 1--      0.0393                 2.3806                 3.0598
 Beta2  Fr= 1--      0.8307                 6.8660                 1.4442
 AlphaG Fr= 1--     -0.0225                 2.3474                -0.9790
 Gamma2 Fr= 1--      0.9100                10.3851                 0.2847
 Delta2 Fr= 1--      1.5284                 6.8984                 0.4108
 Raman1 Fr= 1--      30.338                620.751                591.198
 ROA1   Fr= 1--     136.273               1217.722                 40.474
 CID1   Fr= 1--       4.492                  1.962                  0.068
 Raman2 Fr= 1--       9.968                 82.391                 17.331
 ROA2   Fr= 1--       9.613                194.056                  3.545
 CID2   Fr= 1--       0.964                  2.355                  0.205
 Raman3 Fr= 1--      19.937                164.783                 34.661
 ROA3   Fr= 1--     136.273               1217.722                 40.474
 CID3   Fr= 1--       6.835                  7.390                  1.168
 RC180  Fr= 1--       0.314                 -0.469                 -0.883
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--     92.5556                45.0653                31.2497
  Dep-P Fr= 1--      0.5651                 0.7057                 0.6592
  Dep-U Fr= 1--      0.7221                 0.8274                 0.7946
 Alpha2 Fr= 1--      0.3241                 0.0347                 0.0507
 Beta2  Fr= 1--     11.1389                 6.2148                 4.1384
 AlphaG Fr= 1--     -0.0386                 0.0182                -0.0690
 Gamma2 Fr= 1--     -7.6807                -3.6792                -1.7133
 Delta2 Fr= 1--     -6.5040                -0.8298                -0.0118
 Raman1 Fr= 1--     370.222                180.261                124.999
 ROA1   Fr= 1--    -945.479               -379.760               -164.859
 CID1   Fr= 1--      -2.554                 -2.107                 -1.319
 Raman2 Fr= 1--     133.667                 74.577                 49.661
 ROA2   Fr= 1--    -132.306                -81.663                -41.025
 CID2   Fr= 1--      -0.990                 -1.095                 -0.826
 Raman3 Fr= 1--     267.334                149.155                 99.322
 ROA3   Fr= 1--    -945.479               -379.760               -164.859
 CID3   Fr= 1--      -3.537                 -2.546                 -1.660
 RC180  Fr= 1--       0.444                  0.655                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    118.1058                62.5480               215.8331
  Dep-P Fr= 1--      0.5962                 0.6853                 0.1042
  Dep-U Fr= 1--      0.7471                 0.8133                 0.1888
 Alpha2 Fr= 1--      0.3371                 0.0712                 3.7398
 Beta2  Fr= 1--     14.7053                 8.4779                 6.7920
 AlphaG Fr= 1--     -0.0641                -0.1116                -0.2767
 Gamma2 Fr= 1--      3.3291                 0.0361                -1.9865
 Delta2 Fr= 1--      1.5241                 2.1941                -2.7989
 Raman1 Fr= 1--     472.423                250.192                863.332
 ROA1   Fr= 1--     368.359                 73.678               -280.265
 CID1   Fr= 1--       0.780                  0.294                 -0.325
 Raman2 Fr= 1--     176.464                101.735                 81.504
 ROA2   Fr= 1--      67.705                -16.686                -25.284
 CID2   Fr= 1--       0.384                 -0.164                 -0.310
 Raman3 Fr= 1--     352.928                203.470                163.007
 ROA3   Fr= 1--     368.359                 73.678               -280.265
 CID3   Fr= 1--       1.044                  0.362                 -1.719
 RC180  Fr= 1--       0.494                  0.627                 -0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    134.7836               122.7999                82.8933
  Dep-P Fr= 1--      0.1221                 0.0897                 0.5256
  Dep-U Fr= 1--      0.2177                 0.1646                 0.6891
 Alpha2 Fr= 1--      2.2345                 2.2048                 0.3612
 Beta2  Fr= 1--      4.8903                 3.3694                 9.5197
 AlphaG Fr= 1--     -0.1564                 1.7396                -0.3159
 Gamma2 Fr= 1--      0.9892                 5.3505                 5.1756
 Delta2 Fr= 1--      0.2900                 3.4940                -1.8965
 Raman1 Fr= 1--     539.134                491.200                331.573
 ROA1   Fr= 1--     104.240                625.453                436.170
 CID1   Fr= 1--       0.193                  1.273                  1.315
 Raman2 Fr= 1--      58.684                 40.432                114.236
 ROA2   Fr= 1--      21.420                100.459                139.387
 CID2   Fr= 1--       0.365                  2.485                  1.220
 Raman3 Fr= 1--     117.367                 80.865                228.472
 ROA3   Fr= 1--     104.240                625.453                436.170
 CID3   Fr= 1--       0.888                  7.735                  1.909
 RC180  Fr= 1--      -0.565                 -0.671                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132619D+03  0.811984D+00  0.248407D+01
      2   0.811984D+00  0.109299D+03  0.437497D+01
      3   0.248407D+01  0.437497D+01  0.724243D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.790934D+00 -0.614704D+00  0.292892D+01
      2   0.114723D+02  0.109432D+02 -0.817745D+01
      3   0.330723D+00 -0.307740D+02 -0.108643D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.667509D+02  0.377417D+01  0.702355D+01
      2  -0.271720D+02 -0.725065D+01 -0.108234D+02
      3  -0.395789D+02  0.347648D+01  0.379985D+01
      4  -0.136465D+02  0.515814D+02  0.259583D+02
      5   0.190517D+02  0.275112D+02 -0.217230D+02
      6   0.958606D+01  0.672556D+01 -0.794454D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.257183D+01 -0.329453D+00 -0.478514D+00 -0.560793D+01 -0.341253D+00
      2  -0.329453D+00  0.255322D+01  0.797043D+00 -0.341253D+00 -0.941388D+00
      3  -0.478514D+00  0.797043D+00  0.138119D+01 -0.866750D+00  0.846656D+00
                 6             7             8             9            10 
      1  -0.866750D+00 -0.183593D+01 -0.227971D+00  0.284263D+01  0.387448D+01
      2   0.846656D+00 -0.227971D+00  0.150985D+01 -0.335768D+01  0.191331D+01
      3  -0.162102D+01  0.284263D+01 -0.335768D+01 -0.870793D+00  0.481783D+00
                11            12            13            14            15 
      1   0.191331D+01  0.481783D+00 -0.679159D+01 -0.874045D+00  0.933100D-01
      2  -0.286250D+01  0.960501D-01 -0.874045D+00 -0.164023D+01  0.846440D+00
      3   0.960501D-01 -0.891209D+00  0.933100D-01  0.846440D+00 -0.130901D+01
                16            17            18            19            20 
      1  -0.150658D+00  0.813834D+00 -0.836953D+00 -0.170532D+02 -0.251181D+01
      2   0.813834D+00  0.414850D+00 -0.330682D+01 -0.251181D+01 -0.272885D+01
      3  -0.836953D+00 -0.330682D+01 -0.235221D+01 -0.765416D+00 -0.276882D+00
                21            22            23            24            25 
      1  -0.765416D+00 -0.301034D+01  0.160842D+01  0.100276D+01 -0.777184D+00
      2  -0.276882D+00  0.160842D+01  0.300817D-01  0.510608D-01  0.948154D+00
      3  -0.160301D+01  0.100276D+01  0.510608D-01 -0.239450D+00 -0.373966D+01
                26            27            28            29            30 
      1   0.948154D+00 -0.373966D+01  0.511246D+01 -0.807472D+00  0.358515D+00
      2   0.138367D+00 -0.593774D+00 -0.807472D+00 -0.322729D+01 -0.824808D+00
      3  -0.593774D+00 -0.130147D+01  0.358515D+00 -0.824808D+00 -0.157312D+01
                31            32            33            34            35 
      1   0.821864D+01 -0.103490D+00  0.145213D+00  0.287620D+01 -0.345642D+00
      2  -0.103490D+00  0.182032D+01 -0.477598D+00 -0.345642D+00 -0.983267D+00
      3   0.145213D+00 -0.477598D+00  0.164130D+01 -0.166364D+01  0.363740D+01
                36            37            38            39            40 
      1  -0.166364D+01 -0.334376D+01 -0.814697D-01 -0.499626D+00  0.497665D+01
      2   0.363740D+01 -0.814697D-01  0.268938D+01 -0.226039D+00 -0.265763D-01
      3   0.985191D+00 -0.499626D+00 -0.226039D+00  0.806826D+00 -0.160936D+00
                41            42            43            44            45 
      1  -0.265763D-01 -0.160936D+00  0.205685D+00 -0.796513D+00  0.222619D+01
      2   0.121416D+01 -0.694685D+00 -0.796513D+00 -0.668669D+00  0.362191D+01
      3  -0.694685D+00  0.153007D+01  0.222619D+01  0.362191D+01  0.222606D+01
                46            47            48            49            50 
      1   0.601381D+01  0.269082D+00 -0.508644D+00  0.951709D+00 -0.574240D+00
      2   0.269082D+00  0.313650D+01  0.158078D+00 -0.574240D+00 -0.101900D+00
      3  -0.508644D+00  0.158078D+00  0.218663D+01 -0.110286D+01 -0.303985D+00
                51            52            53            54            55 
      1  -0.110286D+01 -0.523280D+00 -0.109185D+01  0.528749D+01  0.368762D+01
      2  -0.303985D+00 -0.109185D+01  0.108555D+00  0.128629D+00  0.194327D+01
      3  -0.144701D+00  0.528749D+01  0.128629D+00  0.106777D+01  0.409231D-01
                56            57            58            59            60 
      1   0.194327D+01  0.409231D-01  0.599559D+01  0.421910D+01 -0.988462D+00
      2   0.258388D+01 -0.113280D+01  0.421910D+01  0.734572D+00 -0.306175D+00
      3  -0.113280D+01  0.154263D+01 -0.988462D+00 -0.306175D+00  0.374698D+01
                61            62            63            64            65 
      1   0.316785D+00 -0.164056D+01  0.356868D+01  0.886102D+01  0.309522D+00
      2  -0.164056D+01 -0.146515D+01  0.371065D+01  0.309522D+00 -0.940315D+00
      3   0.356868D+01  0.371065D+01  0.497753D+01  0.124676D+01  0.857014D+00
                66            67            68            69            70 
      1   0.124676D+01  0.821776D+00 -0.210985D+01  0.140638D+01  0.137875D+01
      2   0.857014D+00 -0.210985D+01  0.276962D+01 -0.141585D+01  0.140284D+01
      3   0.723096D-01  0.140638D+01 -0.141585D+01 -0.182522D+01  0.210267D+00
                71            72            73            74            75 
      1   0.140284D+01  0.210267D+00  0.844394D+01  0.927259D+00  0.158754D+01
      2  -0.144388D+01 -0.142055D+01  0.927259D+00 -0.345815D+01  0.109690D+01
      3  -0.142055D+01 -0.462827D+01  0.158754D+01  0.109690D+01 -0.167005D+01
                76            77            78            79            80 
      1  -0.233567D+01 -0.385352D+01  0.153708D+01  0.452370D+01  0.217518D+01
      2  -0.385352D+01  0.278591D+01  0.795053D+00  0.217518D+01  0.192910D+01
      3   0.153708D+01  0.795053D+00 -0.306954D+01 -0.196090D+01 -0.308997D+01
                81            82            83            84            85 
      1  -0.196090D+01 -0.734887D-01  0.440293D+00  0.467876D+00  0.104778D+01
      2  -0.308997D+01  0.440293D+00  0.329724D-01 -0.246478D+00 -0.657790D+00
      3  -0.424990D+01  0.467876D+00 -0.246478D+00  0.243274D+00 -0.656441D+00
                86            87            88            89            90 
      1  -0.657790D+00 -0.656441D+00  0.200223D+01 -0.110411D+01 -0.983318D+00
      2   0.203582D+01  0.107326D+01 -0.110411D+01  0.233873D+01  0.250853D+01
      3   0.107326D+01  0.224836D+01 -0.983318D+00  0.250853D+01  0.468810D+01
                91            92            93            94            95 
      1  -0.187101D+01 -0.690933D+00 -0.160662D+01 -0.256656D+01 -0.157181D+01
      2  -0.690933D+00 -0.739200D+00 -0.212863D+00 -0.157181D+01 -0.124152D+01
      3  -0.160662D+01 -0.212863D+00 -0.136614D+01 -0.529551D+00 -0.139204D+01
                96            97            98            99           100 
      1  -0.529551D+00 -0.414391D+01 -0.471148D+00 -0.277400D+01 -0.401316D+00
      2  -0.139204D+01 -0.471148D+00 -0.144673D+01 -0.185885D+01  0.664422D-01
      3  -0.215882D+01 -0.277400D+01 -0.185885D+01 -0.722383D+01  0.616184D+00
               101           102           103           104           105 
      1   0.664422D-01  0.616184D+00  0.948077D+00  0.247596D+00 -0.475593D+00
      2   0.581349D+00 -0.148889D+00  0.247596D+00  0.390211D+00  0.853528D+00
      3  -0.148889D+00  0.103046D+01 -0.475593D+00  0.853528D+00  0.211738D+01
               106           107           108           109           110 
      1   0.119719D+01  0.819541D-01 -0.553637D+00  0.677929D+00 -0.858852D+00
      2   0.819541D-01  0.128697D+01  0.484058D+00 -0.858852D+00  0.198104D+01
      3  -0.553637D+00  0.484058D+00  0.713060D+01 -0.295849D+00 -0.422629D+00
               111           112           113           114           115 
      1  -0.295849D+00 -0.187887D+01  0.728939D+00  0.894670D-01 -0.660128D+00
      2  -0.422629D+00  0.728939D+00 -0.798558D+01  0.717271D+00 -0.307929D+00
      3   0.674455D+00  0.894670D-01  0.717271D+00 -0.114978D+01  0.303846D+00
               116           117           118           119           120 
      1  -0.307929D+00  0.303846D+00 -0.126416D+02 -0.242407D+01  0.784555D-01
      2  -0.111428D+00 -0.662972D+00 -0.242407D+01 -0.148513D+01  0.155612D+00
      3  -0.662972D+00  0.420670D+00  0.784555D-01  0.155612D+00 -0.122082D+01
               121           122           123           124           125 
      1  -0.749531D+00 -0.111869D+01 -0.200972D+00 -0.210791D+01 -0.472560D+00
      2  -0.111869D+01 -0.979432D+00 -0.817154D-01 -0.472560D+00 -0.626762D+00
      3  -0.200972D+00 -0.817154D-01  0.193921D+00 -0.101248D+01  0.225541D-01
               126           127           128           129           130 
      1  -0.101248D+01 -0.543956D+01  0.212372D+01 -0.278292D+00  0.191161D+01
      2   0.225541D-01  0.212372D+01 -0.227562D+01 -0.160633D+00 -0.251813D+01
      3   0.141698D-01 -0.278292D+00 -0.160633D+00 -0.213001D+00 -0.238053D+00
               131           132           133           134           135 
      1  -0.251813D+01 -0.238053D+00 -0.803092D+00 -0.312059D-01  0.278365D-01
      2   0.666138D+01  0.456241D+00 -0.312059D-01  0.317717D+00  0.615715D-01
      3   0.456241D+00  0.779668D+00  0.278365D-01  0.615715D-01 -0.475003D-01
               136           137           138           139           140 
      1   0.284653D+01  0.291250D+01  0.719662D+00  0.271970D+01  0.400613D+01
      2   0.291250D+01  0.307548D+01  0.714387D+00  0.400613D+01  0.845377D+01
      3   0.719662D+00  0.714387D+00  0.603500D+00  0.804443D+00  0.158804D+01
               141           142           143           144           145 
      1   0.804443D+00  0.738826D+00  0.948854D+00  0.270486D+00  0.130231D+02
      2   0.158804D+01  0.948854D+00  0.176321D+01  0.386020D+00  0.381548D+00
      3   0.118601D+01  0.270486D+00  0.386020D+00  0.259338D+00  0.125021D+01
               146           147           148           149           150 
      1   0.381548D+00  0.125021D+01  0.278648D+00  0.154641D+01  0.318822D+00
      2   0.788183D+00  0.744459D-02  0.154641D+01  0.150995D+00  0.157176D+00
      3   0.744459D-02  0.108353D+01  0.318822D+00  0.157176D+00  0.103104D+00
               151           152           153           154           155 
      1   0.156536D+01  0.331981D+00  0.126517D+00  0.393762D+01 -0.345859D+01
      2   0.331981D+00  0.996937D-01  0.289210D-01 -0.345859D+01  0.342220D+01
      3   0.126517D+00  0.289210D-01  0.177122D+00 -0.326817D+00  0.260341D+00
               156           157           158           159           160 
      1  -0.326817D+00 -0.334525D+01  0.435388D+01  0.615186D+00 -0.279091D+00
      2   0.260341D+00  0.435388D+01 -0.738385D+01 -0.853458D+00  0.448857D+00
      3   0.534333D+00  0.615186D+00 -0.853458D+00 -0.914337D+00  0.554930D-01
               161           162           163           164           165 
      1   0.448857D+00  0.554930D-01 -0.226749D+01 -0.191181D+01 -0.330460D+00
      2  -0.967534D+00 -0.218850D+00 -0.191181D+01 -0.202267D+01 -0.595017D+00
      3  -0.218850D+00 -0.153349D+00 -0.330460D+00 -0.595017D+00 -0.444427D+00
               166           167           168           169           170 
      1  -0.193793D+01 -0.233185D+01 -0.493004D+00 -0.468909D+00 -0.716420D+00
      2  -0.233185D+01 -0.713443D+01 -0.163041D+01 -0.716420D+00 -0.168007D+01
      3  -0.493004D+00 -0.163041D+01 -0.117977D+01 -0.144984D+00 -0.454743D+00
               171           172           173           174           175 
      1  -0.144984D+00 -0.108152D+02  0.178751D+01 -0.175767D+01  0.353470D+00
      2  -0.454743D+00  0.178751D+01 -0.110447D+01  0.104167D+00 -0.629241D+00
      3  -0.371339D+00 -0.175767D+01  0.104167D+00 -0.117736D+01 -0.300047D+00
               176           177           178           179           180 
      1  -0.629241D+00 -0.300047D+00 -0.305462D+01  0.542580D-01 -0.124985D+01
      2   0.361500D+00 -0.228811D+00  0.542580D-01 -0.513535D+00  0.373966D+00
      3  -0.228811D+00  0.648723D-01 -0.124985D+01  0.373966D+00 -0.747899D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.979152D+00 -0.103899D+00  0.193060D+01 -0.141506D+01  0.323916D+00
      2  -0.675486D+00  0.226734D+01  0.229054D+01 -0.940091D+00  0.286080D+01
      3  -0.102552D+01 -0.134481D+02 -0.219305D+01  0.411912D+01 -0.117282D+01
                 6             7             8             9            10 
      1  -0.191209D+01  0.688264D+01  0.252798D+01  0.152944D+01  0.408921D-02
      2  -0.405905D+01 -0.533922D+01 -0.102144D+02 -0.271856D+01  0.310198D+01
      3  -0.190287D+01 -0.378882D+00 -0.394988D+01  0.391388D+01 -0.547760D+00
                11            12            13            14            15 
      1   0.803699D+00 -0.135204D+01  0.126846D+01 -0.792225D+00 -0.222736D+01
      2   0.142071D+01 -0.490838D+00  0.138195D+01 -0.139819D+01 -0.161479D+01
      3  -0.162748D+01 -0.140887D+01  0.922922D+00  0.777810D+01  0.276740D+00
                16            17            18            19            20 
      1  -0.572743D+01  0.229330D+01 -0.129210D+01  0.658496D+00 -0.590487D+00
      2  -0.135327D+02 -0.120010D+01 -0.307503D+01  0.117803D+00 -0.145406D+01
      3  -0.439686D+01 -0.641282D+00  0.602714D+01 -0.687910D+01  0.736710D+01
                21            22            23            24            25 
      1  -0.674232D+00 -0.282682D+01 -0.140102D+01  0.803250D+00  0.106773D+01
      2  -0.179632D+01 -0.183060D+01  0.349493D+00  0.663993D+00 -0.127850D+02
      3   0.546140D+00  0.156999D+02 -0.138439D+00  0.381889D+00  0.119165D-01
                26            27            28            29            30 
      1   0.996997D+01  0.226414D+01 -0.120775D+01 -0.189286D+00  0.206186D+01
      2   0.450758D+00 -0.348054D+00  0.201476D+01 -0.212487D+00 -0.374619D+00
      3   0.312309D+01 -0.797389D+00  0.893246D+01 -0.126427D+01  0.186158D+01
                31            32            33            34            35 
      1  -0.106491D+01 -0.240174D+00 -0.218985D+01  0.524433D+01  0.242029D+01
      2   0.343903D+01  0.118127D+01  0.109040D+01 -0.131073D+02  0.502512D+00
      3   0.657257D+01 -0.582604D+01  0.273238D+00  0.256243D+01 -0.104973D+01
                36            37            38            39            40 
      1  -0.158286D+00  0.880609D+00  0.652209D+00 -0.116811D+01  0.113620D+01
      2  -0.400195D+00  0.171700D+00  0.110461D+01  0.592751D+00  0.941410D+00
      3  -0.547932D+01 -0.372988D+01 -0.104161D+02 -0.189747D+01  0.506796D+01
                41            42            43            44            45 
      1  -0.677705D-01 -0.214680D+01 -0.562092D+01  0.156234D+01 -0.705733D+00
      2  -0.263294D+01  0.407667D+01 -0.740526D+01  0.962230D+01  0.356943D+01
      3  -0.207670D+01  0.149413D+01 -0.836148D+00  0.200379D+01 -0.498423D+01
                46            47            48            49            50 
      1   0.111078D+00 -0.937885D+00 -0.436747D+00 -0.134020D+01 -0.250756D+01
      2  -0.119282D+00  0.548638D-01  0.623992D+01 -0.345025D+01 -0.122473D+00
      3   0.657259D+00 -0.676472D+01 -0.449357D-01  0.115257D+02  0.338251D+01
                51            52            53            54            55 
      1   0.123705D+01 -0.102613D+01  0.114353D+02  0.192358D+01 -0.181372D+01
      2  -0.400603D+00  0.818838D+01  0.530377D+00  0.186588D+01  0.141419D+01
      3   0.175484D+01  0.347101D+01  0.764099D+00  0.971146D+00  0.647709D+01
                56            57            58            59            60 
      1  -0.390168D+00  0.314874D+00 -0.213032D+01 -0.942003D+00  0.130139D+01
      2   0.198055D+01 -0.110417D+01  0.356008D+01  0.233254D+01 -0.578293D+01
      3   0.159586D+01 -0.106741D+01  0.124571D+02 -0.401316D+01  0.473651D+00
                61            62            63            64            65 
      1   0.413437D+01  0.668954D+01 -0.975852D+00 -0.322243D+01 -0.125962D+01
      2  -0.130772D+02 -0.739819D+01 -0.756525D+01  0.193975D+00 -0.120081D+01
      3  -0.117831D+01 -0.412361D+01  0.736256D+01  0.205934D+02 -0.779253D+01
                66            67            68            69            70 
      1   0.385707D-01 -0.678733D+00 -0.795358D+00 -0.787626D+00 -0.433963D+01
      2   0.351252D+01 -0.170077D+01  0.231182D+01  0.409770D+01 -0.389078D+01
      3   0.465079D+01  0.392793D+01  0.578822D+01 -0.256362D+01  0.543194D+01
                71            72            73            74            75 
      1   0.782543D+01  0.935016D+01  0.414769D+01 -0.180214D+01 -0.220108D+01
      2   0.553026D+01  0.104105D+02 -0.109635D+02 -0.468813D+01  0.595174D+01
      3  -0.209164D+01 -0.403791D+01 -0.904511D+01 -0.153437D+02  0.804526D+00
                76            77            78            79            80 
      1   0.374522D+00  0.837715D+01 -0.703494D+01 -0.123118D+01 -0.255196D+01
      2  -0.600015D+01 -0.222034D+00  0.671246D+01  0.148636D+01  0.669859D+01
      3  -0.942491D+01  0.169509D+02  0.279492D+00  0.170725D+01  0.160784D+01
                81            82            83            84            85 
      1  -0.720654D+01 -0.548497D+00  0.519132D+00 -0.206774D+00  0.119925D+01
      2   0.118028D+02 -0.186666D+01  0.837400D+00 -0.118199D+00  0.157341D+01
      3  -0.640007D+01  0.190286D+01  0.402405D+00  0.791053D-01  0.795477D+00
                86            87            88            89            90 
      1  -0.227474D+01 -0.518921D+01  0.236320D+01 -0.308261D+01 -0.104714D+02
      2  -0.274492D+01 -0.587387D+01  0.113138D+00 -0.649503D+01 -0.110996D+02
      3   0.427460D+01  0.210359D+01  0.856519D+00  0.589129D+01  0.618337D+01
                91            92            93            94            95 
      1  -0.821683D+00  0.118230D+01 -0.470228D+00  0.112476D+01  0.653665D+00
      2   0.153152D+01  0.416283D+00  0.263624D+01 -0.312557D+00  0.136794D+01
      3  -0.149748D+01 -0.355492D+01 -0.301038D+00 -0.167855D+01 -0.153076D+01
                96            97            98            99           100 
      1  -0.117556D+01 -0.126507D+01  0.197704D+01 -0.129206D+01  0.871247D+00
      2   0.395433D+01  0.100802D+01  0.298930D+01  0.117811D+02 -0.187219D+01
      3  -0.303538D+01  0.151607D+00 -0.305252D+01 -0.401331D+01  0.737854D+00
               101           102           103           104           105 
      1   0.968799D+00  0.101282D+01  0.115495D+00  0.210770D+01  0.199698D+01
      2   0.810427D-01 -0.214823D+01 -0.234560D+00 -0.232782D+01 -0.497092D+01
      3   0.108777D+01 -0.820971D+00  0.128243D+01  0.682142D+00  0.221426D+01
               106           107           108           109           110 
      1  -0.365051D+00  0.469111D+01  0.999920D+01 -0.184386D+01  0.159012D+01
      2  -0.288830D+01 -0.185146D+01 -0.173276D+02 -0.170055D+00  0.149934D+01
      3  -0.123158D+01  0.341078D+01  0.208768D+01 -0.657886D+01  0.689698D+01
               111           112           113           114           115 
      1   0.163998D+01  0.159391D+01 -0.579680D+01 -0.341850D+01  0.808704D+00
      2  -0.979205D+00  0.137245D+01 -0.272671D+01  0.210095D+01 -0.157938D+01
      3  -0.271066D-01  0.937007D+01 -0.220725D+02  0.136981D+01  0.121343D+01
               116           117           118           119           120 
      1  -0.823891D-01  0.284060D+00 -0.622771D+00 -0.804369D+00 -0.202917D+01
      2   0.120585D+01 -0.891425D+00  0.714377D+01  0.795771D+00  0.644417D+01
      3  -0.482443D+00 -0.224862D+01  0.978994D+01 -0.458834D+01  0.598701D+00
               121           122           123           124           125 
      1  -0.497332D+00 -0.781656D+00 -0.467107D+00 -0.129057D+01  0.657323D+00
      2   0.139249D+01  0.669601D+00 -0.277629D+00  0.203757D+01 -0.228701D+00
      3   0.495633D-01 -0.208256D+01 -0.279070D+00  0.493379D+00 -0.123124D+01
               126           127           128           129           130 
      1  -0.314972D-01  0.172019D+01 -0.347284D+00  0.160375D+01  0.135786D+00
      2   0.477423D+00  0.143309D+01 -0.147748D+00 -0.100730D+00 -0.431594D+00
      3   0.144622D+01 -0.167053D+02  0.462806D+01 -0.978964D+00  0.680768D+01
               131           132           133           134           135 
      1  -0.888727D-02 -0.324229D+01 -0.371304D+00  0.175481D+01  0.123632D+00
      2   0.797065D+00 -0.706793D+00 -0.136568D+01  0.322364D+00 -0.670350D-01
      3  -0.616573D+01 -0.803873D+00 -0.193932D+01  0.861657D-01  0.117157D+00
               136           137           138           139           140 
      1  -0.268142D+00 -0.234270D-01 -0.193095D+01 -0.126152D+00  0.471451D+00
      2   0.513741D+00  0.822108D+00  0.212770D+01  0.636526D+00  0.252965D+01
      3  -0.978185D+00 -0.314270D+01 -0.480438D+00 -0.196073D+01 -0.128828D+02
               141           142           143           144           145 
      1  -0.405724D+01  0.605967D+00  0.180908D+01 -0.510359D+00 -0.113124D+00
      2   0.353263D+01 -0.437751D+00 -0.200192D+00  0.610395D+00  0.182163D+01
      3  -0.219158D+01 -0.383003D+00 -0.252886D+01 -0.268648D+00  0.334851D+00
               146           147           148           149           150 
      1   0.425165D+00 -0.222121D+00  0.201445D+00  0.751423D-02 -0.314074D+00
      2  -0.137165D+00  0.646798D+01  0.124275D+01  0.341785D+00  0.378653D+00
      3  -0.527303D+01  0.250069D+00 -0.385652D+01 -0.269173D+00 -0.405155D+00
               151           152           153           154           155 
      1   0.699937D-01  0.445214D+00 -0.432587D-01  0.250305D+00 -0.587863D+00
      2  -0.241793D+01  0.883141D-01  0.640903D+00  0.264294D+00 -0.319419D+00
      3  -0.113206D+01 -0.568842D+00 -0.295457D+00  0.118475D+01 -0.442319D+01
               156           157           158           159           160 
      1   0.207122D+01  0.261898D+00  0.225063D+00 -0.364622D+01 -0.922210D+00
      2   0.237212D+01  0.459127D+00 -0.965331D+00 -0.330762D+01 -0.679854D+00
      3  -0.411637D-01 -0.302219D+01  0.119677D+02  0.102257D+01 -0.600770D+00
               161           162           163           164           165 
      1   0.149735D+01 -0.273130D+00  0.846309D+00  0.318117D+00 -0.170063D+01
      2   0.623900D+00 -0.300997D+00 -0.168907D+01 -0.964113D+00  0.199144D+00
      3   0.191496D+01  0.302542D+00  0.807608D+01  0.433123D+01  0.582300D+00
               166           167           168           169           170 
      1   0.641837D+00  0.969300D+00 -0.364262D+01  0.390395D+00  0.220968D+01
      2  -0.159983D+01 -0.160522D+01  0.334521D+00 -0.165850D+01 -0.492241D+00
      3   0.773705D+01  0.792341D+01  0.174287D+01  0.126378D+01  0.233937D+01
               171           172           173           174           175 
      1  -0.397753D+00  0.195111D+01  0.576885D+00  0.171841D+01  0.782953D+00
      2   0.157364D+00 -0.112325D+01  0.326374D-01  0.448853D+01  0.501179D+00
      3   0.235715D+00 -0.121067D+02 -0.331866D+01 -0.229942D+01 -0.774536D-01
               176           177           178           179           180 
      1   0.283714D+00 -0.982230D-01  0.999545D+00  0.599563D+00  0.713500D-01
      2   0.368231D-02  0.518995D-01  0.101626D+01 -0.891773D+00  0.123384D+01
      3  -0.109509D+00 -0.961377D+00 -0.508632D+01 -0.142131D+01 -0.122450D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237423D+01  0.221267D+02  0.450016D+01 -0.249754D+02  0.739228D+01
      2  -0.468194D+01 -0.137022D+02 -0.637279D+00  0.230111D+02 -0.112731D+02
      3   0.230771D+01 -0.842458D+01 -0.386288D+01  0.196431D+01  0.388087D+01
      4   0.187407D+02  0.265680D+01  0.425513D+01  0.664620D+01  0.110698D+02
      5   0.531517D+00  0.401069D+01  0.503829D+01 -0.340636D+01  0.694448D+01
      6   0.204006D+01 -0.313531D+01 -0.489423D+01  0.585744D+01 -0.522641D+01
                 6             7             8             9            10 
      1   0.900805D+00 -0.695529D+01  0.602876D+01  0.683675D+00  0.724410D+01
      2  -0.992942D+00  0.825466D+01 -0.819327D+01 -0.616617D+01 -0.598773D+01
      3   0.921369D-01 -0.129938D+01  0.216451D+01  0.548250D+01 -0.125638D+01
      4   0.765815D+01  0.245170D+01  0.695579D+01 -0.150090D+02 -0.129790D+02
      5  -0.840213D+01  0.177653D+02 -0.153778D+02 -0.687544D+01 -0.517638D+00
      6   0.473813D+01 -0.802228D+01  0.128896D+02 -0.144094D+01 -0.238251D+01
                11            12            13            14            15 
      1  -0.132536D+02 -0.382496D-01  0.133707D+01  0.730116D+01  0.472157D+01
      2   0.110968D+02 -0.683896D+00 -0.866285D+01 -0.996091D+01 -0.574494D+01
      3   0.215678D+01  0.722146D+00  0.732578D+01  0.265975D+01  0.102337D+01
      4  -0.170212D+02 -0.401729D+01  0.112905D+02 -0.120375D+02 -0.141849D+01
      5  -0.401984D+01 -0.314116D+01  0.121117D+01 -0.162242D+01 -0.109720D+01
      6  -0.162356D+01  0.313631D+01 -0.471154D+01 -0.854563D+01  0.273797D+01
                16            17            18            19            20 
      1   0.177987D+01  0.154066D+01 -0.157907D+02 -0.225688D+02 -0.135053D+00
      2  -0.442121D+01 -0.687429D+01  0.945963D+00  0.785681D+01 -0.174505D+00
      3   0.264134D+01  0.533363D+01  0.148448D+02  0.147120D+02  0.309558D+00
      4   0.164600D+00 -0.380747D+01 -0.599545D+01  0.121528D+02  0.296199D+01
      5  -0.177410D+00 -0.499416D+01 -0.521824D+01  0.559304D+00  0.291785D+00
      6   0.349390D+01  0.127166D+02  0.543462D+01 -0.938521D+00  0.100835D+00
                21            22            23            24            25 
      1   0.448324D+00  0.675902D+00 -0.797179D+01  0.128861D+00 -0.735929D+01
      2  -0.579102D+00 -0.156314D+01  0.124592D+02  0.360237D+01  0.186998D+01
      3   0.130778D+00  0.887243D+00 -0.448743D+01 -0.373123D+01  0.548931D+01
      4   0.739690D+00 -0.111013D+02 -0.275795D+01 -0.170055D+01 -0.294872D+01
      5  -0.476470D+00 -0.342612D+01 -0.101397D+01  0.123401D+01  0.268815D+01
      6   0.408340D+00 -0.272410D+01  0.232976D+01 -0.149393D+01 -0.969142D+00
                26            27            28            29            30 
      1  -0.882964D+00 -0.978384D+01  0.373232D+01  0.159144D+02  0.418738D+01
      2   0.148973D+01 -0.335894D+01 -0.402097D+01 -0.120825D+02 -0.151341D+01
      3  -0.606770D+00  0.131428D+02  0.288651D+00 -0.383193D+01 -0.267398D+01
      4  -0.302112D+01  0.267494D+01  0.911742D+01 -0.108280D+02 -0.239803D-01
      5   0.196916D+01 -0.778270D+00  0.130996D+01 -0.381598D+00 -0.422490D+00
      6   0.422389D+01 -0.366525D+01  0.346057D+01 -0.321396D+01 -0.451013D+01
                31            32            33            34            35 
      1  -0.129311D+01  0.330346D+01  0.224669D+01 -0.158242D+00  0.339078D+01
      2   0.999378D+01 -0.726752D+01 -0.172000D+01  0.263624D+01 -0.489754D+01
      3  -0.870068D+01  0.396407D+01 -0.526696D+00 -0.247800D+01  0.150676D+01
      4   0.503000D+01  0.134637D+02  0.212572D+01  0.134237D+01 -0.181311D+01
      5   0.137152D+01  0.199347D+01  0.845800D+00  0.358256D+01  0.309329D+01
      6   0.563644D+01 -0.303732D+01  0.541172D+01 -0.334286D+01  0.146193D+02
                36            37            38            39            40 
      1  -0.148894D+02  0.262395D+01 -0.212100D+02 -0.238200D+01  0.245953D+02
      2   0.297191D+01 -0.305988D+01  0.143069D+02  0.125285D+01 -0.219667D+02
      3   0.119175D+02  0.435928D+00  0.690311D+01  0.112914D+01 -0.262869D+01
      4   0.280311D+01 -0.126062D+02 -0.499103D+01 -0.515138D+01  0.700184D+01
      5  -0.119144D+01 -0.411914D+01 -0.487610D+01 -0.456644D+00 -0.241140D+00
      6   0.121946D+01 -0.549191D+01 -0.157134D+01  0.324528D+01 -0.446361D+01
                41            42            43            44            45 
      1   0.107404D+02  0.274484D+01  0.278876D+01 -0.267846D+01 -0.454571D+01
      2  -0.136930D+02 -0.525696D+01 -0.654377D+01 -0.512001D+01 -0.462426D+01
      3   0.295263D+01  0.251211D+01  0.375500D+01  0.779846D+01  0.916997D+01
      4  -0.406073D+01 -0.500636D+01 -0.491786D+01 -0.915472D+01  0.154861D+02
      5  -0.513575D+01  0.880507D+01  0.129828D+02  0.157995D+02  0.721124D+01
      6  -0.834120D+01  0.369398D+01  0.690708D+01  0.137026D+02  0.272693D+01
                46            47            48            49            50 
      1  -0.816301D+01 -0.696824D+00 -0.598474D+01  0.426297D+01 -0.217419D+02
      2   0.567552D+01  0.621756D+00  0.372718D+01 -0.248152D+01  0.179348D+02
      3   0.248749D+01  0.750682D-01  0.225756D+01 -0.178146D+01  0.380713D+01
      4  -0.119593D+01  0.223062D+02  0.127962D+01 -0.205656D+02 -0.615838D+01
      5  -0.762310D+01  0.112702D+01  0.137680D+02 -0.101016D+02 -0.276396D+01
      6   0.108487D+01  0.760810D+00  0.108689D+01 -0.275931D+01  0.330014D+01
                51            52            53            54            55 
      1  -0.652516D+01 -0.974186D+01 -0.688753D+01  0.146815D+02  0.145164D+02
      2   0.782716D+01  0.377553D+01  0.579223D+01 -0.182018D+02 -0.559369D+01
      3  -0.130200D+01  0.596633D+01  0.109530D+01  0.352036D+01 -0.892269D+01
      4  -0.358269D+01 -0.112383D+02  0.864451D+00 -0.654110D+00 -0.776873D+01
      5  -0.110813D+01  0.357664D+02  0.156313D+00  0.508140D+01  0.601982D-01
      6  -0.268919D+01  0.230850D+00  0.453063D+01 -0.294351D+01  0.783501D-01
                56            57            58            59            60 
      1   0.473681D+00 -0.314568D+00  0.247794D+01 -0.713943D+01  0.153358D+01
      2   0.210852D+01  0.631076D+00  0.381412D+01  0.370553D+01 -0.259451D+00
      3  -0.258220D+01 -0.316508D+00 -0.629205D+01  0.343390D+01 -0.127412D+01
      4  -0.157441D+02  0.439452D+01 -0.270208D+02 -0.204500D+01  0.274865D+01
      5   0.479346D+01 -0.102734D+02  0.789078D+01  0.180888D+01 -0.153354D+02
      6   0.215269D+01 -0.147217D+01  0.365262D+01  0.559415D+01 -0.987039D+01
                61            62            63            64            65 
      1   0.100291D+02  0.547784D+01  0.298135D+00 -0.406111D+02  0.491186D+01
      2   0.253701D+01  0.228655D+01  0.823091D+01  0.251545D+02 -0.545524D+01
      3  -0.125661D+02 -0.776439D+01 -0.852904D+01  0.154566D+02  0.543382D+00
      4   0.109917D+02  0.879816D+01 -0.195824D+02  0.123967D+02  0.101803D+02
      5  -0.181824D+02 -0.179251D+02 -0.204285D+02 -0.126229D+02 -0.383571D+01
      6  -0.101679D+02 -0.427622D+01 -0.501702D+01  0.325702D+01  0.231425D+01
                66            67            68            69            70 
      1  -0.926320D+01 -0.309728D+01 -0.187511D+01 -0.486475D+00 -0.917367D+01
      2   0.628571D+01 -0.181986D+01  0.140941D+02 -0.993231D+00  0.751564D+01
      3   0.297749D+01  0.491714D+01 -0.122190D+02  0.147971D+01  0.165803D+01
      4  -0.255186D+01  0.196738D+02 -0.180104D+02  0.781358D+01 -0.663996D+01
      5   0.323843D+01 -0.993154D+01  0.711197D+01  0.759075D+01  0.165370D+01
      6  -0.868647D+00  0.266185D+01 -0.829620D+01  0.257019D+01  0.251656D+01
                71            72            73            74            75 
      1   0.114493D+01 -0.165984D+01 -0.530856D+02 -0.164721D+02 -0.197849D+01
      2  -0.239199D+01 -0.618407D+01  0.218732D+02  0.157064D+02  0.383466D+01
      3   0.124706D+01  0.784392D+01  0.312124D+02  0.765696D+00 -0.185617D+01
      4   0.944271D+01  0.767778D+01 -0.185861D+02  0.136782D+02 -0.600526D+01
      5   0.704813D+01  0.218254D+02 -0.280319D+01 -0.340788D+01  0.965256D+01
      6  -0.877363D+00 -0.155110D+02 -0.404748D+01 -0.554632D+01  0.382135D+01
                76            77            78            79            80 
      1  -0.920496D+01  0.201997D+02  0.219311D+01 -0.107649D+02  0.276815D+00
      2   0.841027D+01 -0.231305D+02  0.550401D+01  0.490875D+01  0.209361D+01
      3   0.794693D+00  0.293086D+01 -0.769712D+01  0.585612D+01 -0.237042D+01
      4   0.181879D+02 -0.490124D+01 -0.490672D+01 -0.149342D+02 -0.979357D+01
      5  -0.789825D+01 -0.753004D+01  0.143627D+02  0.134068D+02  0.157326D+02
      6  -0.602967D+01 -0.310872D+01  0.765938D+01  0.734508D+01  0.849280D+01
                81            82            83            84            85 
      1   0.112928D+02  0.177862D+01 -0.307960D+01 -0.252883D+01 -0.441930D+01
      2   0.882812D+01 -0.701013D+00  0.106904D+01  0.515362D+00  0.105042D+01
      3  -0.201209D+02 -0.107761D+01  0.201056D+01  0.201347D+01  0.336888D+01
      4   0.190491D+02 -0.381662D+01  0.124671D+01  0.277608D+01  0.559428D+01
      5   0.160084D+02 -0.268683D+01  0.212117D+01  0.638269D+00  0.378101D+01
      6   0.249852D+00  0.183540D+01 -0.852055D+00  0.171134D+00 -0.223248D+01
                86            87            88            89            90 
      1  -0.323244D+01 -0.605494D+00 -0.684143D+01 -0.130656D+01 -0.590105D+01
      2   0.496622D+01  0.252426D+01  0.288737D+01  0.324026D+01  0.250607D+01
      3  -0.173378D+01 -0.191877D+01  0.395405D+01 -0.193370D+01  0.339498D+01
      4  -0.992842D+01 -0.607397D+01  0.873026D+01 -0.123535D+02 -0.121642D+02
      5  -0.529449D+01 -0.113992D+02  0.660320D+01 -0.123673D+02 -0.229157D+02
      6   0.484165D+01  0.948845D+01 -0.330941D+01  0.104923D+02  0.152623D+02
                91            92            93            94            95 
      1   0.430068D+01  0.128699D+01  0.382237D+01  0.909144D+00 -0.235856D+01
      2  -0.592401D+01 -0.123776D+01 -0.419273D+01 -0.225569D+01 -0.341381D+00
      3   0.162333D+01 -0.492347D-01  0.370358D+00  0.134654D+01  0.269994D+01
      4   0.424906D+01  0.667096D+01  0.223009D+01  0.960861D+01  0.585339D+01
      5   0.904508D+01  0.226163D+01  0.116818D+02  0.351014D+01  0.593884D+01
      6   0.286456D+01  0.148432D+00  0.156573D+01  0.198407D+01  0.447113D+01
                96            97            98            99           100 
      1  -0.294122D+01  0.284241D+01 -0.316451D+01 -0.104120D+02  0.317326D+01
      2  -0.844452D+00 -0.845506D+01 -0.218995D+01 -0.141799D+02 -0.365115D+01
      3   0.378567D+01  0.561265D+01  0.535446D+01  0.245919D+02  0.477885D+00
      4   0.623613D+01  0.304951D+01  0.681556D+01  0.882095D+01  0.100394D+01
      5   0.914868D+01  0.179932D+02  0.838325D+01  0.307746D+02 -0.222583D+01
      6   0.912327D+01  0.464136D+01  0.668415D+01  0.108336D+02 -0.245810D-01
               101           102           103           104           105 
      1   0.139824D+01 -0.586418D+01 -0.199533D+01 -0.428020D+01 -0.205444D+01
      2  -0.169983D+01  0.482707D+00  0.171625D+01  0.963557D+00 -0.544506D+01
      3   0.301594D+00  0.538147D+01  0.279073D+00  0.331664D+01  0.749950D+01
      4  -0.175132D+01 -0.410675D+00 -0.587158D+00 -0.287413D+01 -0.409891D+01
      5   0.908418D+00  0.374724D+00  0.390231D+01 -0.294631D+01 -0.937044D+01
      6   0.163266D+01 -0.131561D+01  0.205520D+00  0.190278D+01  0.289371D+01
               106           107           108           109           110 
      1  -0.589814D+01 -0.134721D+00 -0.167020D+02 -0.194384D+01  0.962527D+01
      2   0.429126D+01 -0.404064D+01 -0.168913D+02  0.451289D+01 -0.109307D+02
      3   0.160688D+01  0.417536D+01  0.335933D+02 -0.256905D+01  0.130543D+01
      4  -0.238239D+01 -0.651069D+01 -0.453830D+01  0.735315D+00 -0.355918D+01
      5   0.775914D+01 -0.221899D+01 -0.298003D+02  0.177144D+01 -0.491785D-01
      6   0.884838D+00  0.424363D+01 -0.926677D+01 -0.527002D-01  0.263346D+01
               111           112           113           114           115 
      1  -0.755674D+00  0.100247D+02 -0.264650D+02  0.227983D+01  0.169502D+01
      2  -0.170653D+00 -0.767834D+01  0.397869D+02 -0.109188D+01 -0.100377D+01
      3   0.926327D+00 -0.234637D+01 -0.133219D+02 -0.118795D+01 -0.691253D+00
      4   0.147136D+01  0.395656D+01  0.300031D+02 -0.295317D+01  0.238579D+01
      5  -0.210371D+01 -0.290295D+01 -0.820972D+00  0.433127D+01 -0.150699D+00
      6  -0.271862D+01  0.629642D+00 -0.851941D+01  0.657144D+01 -0.160974D+01
               116           117           118           119           120 
      1   0.927402D+00 -0.523953D+01  0.784419D+02  0.109947D+02  0.225283D+01
      2   0.673333D+00  0.282788D+01 -0.368874D+02 -0.221632D+01  0.369001D+00
      3  -0.160073D+01  0.241166D+01 -0.415545D+02 -0.877838D+01 -0.262183D+01
      4   0.127485D+01  0.119224D+01  0.334771D+02  0.167080D+02 -0.249270D+00
      5   0.188110D+01 -0.119902D+01 -0.924742D+01 -0.208701D+01  0.107444D+02
      6   0.591716D+01 -0.865839D+00 -0.621137D+00 -0.162470D+01  0.379067D+01
               121           122           123           124           125 
      1   0.298805D+01  0.494104D+01  0.237815D+00  0.976436D+01  0.796932D+00
      2   0.124880D+01  0.821634D+00 -0.454199D+00 -0.403024D+01  0.295588D+00
      3  -0.423685D+01 -0.576267D+01  0.216384D+00 -0.573412D+01 -0.109252D+01
      4   0.125380D+02  0.758677D+01  0.598138D+00  0.461003D+01  0.365831D+01
      5   0.241635D+00 -0.102463D+00 -0.427811D+00  0.940821D+01  0.533367D+00
      6  -0.853239D+00 -0.561779D+00  0.859048D+00  0.311004D+01  0.809020D+00
               126           127           128           129           130 
      1   0.564598D+01  0.168003D+01  0.666088D+01  0.133687D+01  0.825099D+01
      2  -0.501701D+01  0.207149D+01 -0.964931D+01 -0.935659D+00 -0.111043D+02
      3  -0.628977D+00 -0.375152D+01  0.298843D+01 -0.401211D+00  0.285332D+01
      4   0.149155D+01 -0.121630D+02  0.647973D+01  0.290239D+00  0.601055D+01
      5   0.434213D+00  0.919397D+00  0.965330D+00  0.487019D+00  0.100613D+01
      6   0.677662D+00 -0.144591D+01 -0.291668D+00 -0.176469D+01 -0.992494D+00
               131           132           133           134           135 
      1  -0.240322D+02 -0.198011D+01  0.142809D+01 -0.107739D+01 -0.616365D+00
      2   0.327321D+02  0.156236D+01 -0.142399D+01  0.165134D+01  0.111062D+01
      3  -0.869989D+01  0.417748D+00 -0.409840D-02 -0.573948D+00 -0.494258D+00
      4  -0.605073D+01 -0.510937D+00 -0.822018D+00  0.275251D+00 -0.143610D+01
      5  -0.940570D+00 -0.816370D+00  0.100598D+01 -0.829524D+00  0.167474D-01
      6   0.239546D+01  0.523212D+01 -0.605492D+00  0.166203D+01  0.270336D+00
               136           137           138           139           140 
      1   0.836717D+01  0.643860D+01  0.118296D+01  0.122320D+01 -0.100364D+02
      2   0.189471D+01  0.435820D+01  0.116324D-01  0.103743D+02  0.307396D+02
      3  -0.102619D+02 -0.107968D+02 -0.119459D+01 -0.115975D+02 -0.207032D+02
      4   0.222359D+02  0.251359D+02  0.516423D+01  0.271901D+02  0.468110D+02
      5   0.477783D+01  0.489974D+01  0.529988D+01  0.503360D+01  0.783219D+01
      6   0.349076D+01  0.388810D+01  0.328858D+01  0.490395D+01  0.101753D+02
               141           142           143           144           145 
      1  -0.212604D+01  0.983014D+00 -0.127351D+01 -0.126766D+01  0.985980D+02
      2   0.373337D+01  0.143953D+01  0.481379D+01  0.200605D+01 -0.566838D+02
      3  -0.160733D+01 -0.242255D+01 -0.354027D+01 -0.738391D+00 -0.419142D+02
      4   0.841307D+01  0.664407D+01  0.973527D+01  0.335344D+01  0.408223D+01
      5   0.631587D+01  0.217135D+01  0.277487D+01  0.198263D+01  0.116584D+02
      6   0.824665D+01  0.210624D+01  0.422168D+01  0.269337D+01 -0.190638D+01
               146           147           148           149           150 
      1   0.281964D+01  0.779714D+01  0.167534D+01  0.909584D+01  0.134188D+01
      2  -0.137676D+01 -0.545881D+01 -0.770192D+00 -0.455701D+01 -0.114729D+01
      3  -0.144288D+01 -0.233834D+01 -0.905150D+00 -0.453884D+01 -0.194592D+00
      4   0.865127D+01 -0.204820D-01  0.144422D+02  0.120338D+01  0.135764D+01
      5  -0.380231D-02  0.114785D+02  0.252318D+01  0.140290D+01  0.603680D+00
      6   0.540146D+00  0.360873D-01  0.998116D+00 -0.210344D+00  0.154154D+01
               151           152           153           154           155 
      1   0.109802D+02  0.154255D+01  0.352765D+01  0.152997D+02 -0.101396D+02
      2  -0.654776D+01 -0.989110D+00 -0.240330D+01 -0.677408D+00 -0.329611D+01
      3  -0.443245D+01 -0.553443D+00 -0.112435D+01 -0.146223D+02  0.134357D+02
      4   0.262186D+01  0.114716D+01  0.558847D+00 -0.283636D+02  0.287385D+02
      5   0.380198D+01  0.370238D+00  0.226276D+01 -0.358032D+01  0.264750D+01
      6   0.627771D-01  0.781900D+00  0.346842D+00  0.121645D+01 -0.103315D+01
               156           157           158           159           160 
      1  -0.136140D+01 -0.565666D+01 -0.174427D+01  0.762089D-01  0.328800D+00
      2   0.392391D+00 -0.858068D+01  0.228485D+02  0.103072D+01 -0.143763D+01
      3   0.969007D+00  0.142373D+02 -0.211042D+02 -0.110693D+01  0.110883D+01
      4   0.240317D+01  0.316678D+02 -0.462504D+02 -0.524803D+01  0.315242D+01
      5   0.513151D+01  0.465296D+01 -0.595654D+01 -0.583009D+01  0.168472D+01
      6  -0.294264D+01 -0.293503D+01  0.447589D+01  0.631030D+01 -0.138333D+01
               161           162           163           164           165 
      1  -0.959354D+00 -0.809849D+00 -0.474575D+01 -0.727674D+01 -0.290273D+01
      2   0.271145D+01  0.135132D+01  0.591312D+01  0.859990D+01  0.192418D+01
      3  -0.175210D+01 -0.541471D+00 -0.116737D+01 -0.132316D+01  0.978550D+00
      4  -0.510445D+01 -0.250461D+01  0.541238D+01  0.674926D+01  0.105620D+01
      5  -0.167701D+01 -0.903030D+00  0.224836D+00  0.770687D+00  0.148450D+01
      6   0.266738D+01  0.133059D+01  0.218016D+01  0.395969D+01  0.281873D+01
               166           167           168           169           170 
      1  -0.777153D+01 -0.275994D+02 -0.707562D+01 -0.229746D+01 -0.634300D+01
      2   0.979479D+01  0.352094D+02  0.618322D+01  0.252619D+01  0.720399D+01
      3  -0.202326D+01 -0.761005D+01  0.892396D+00 -0.228726D+00 -0.860981D+00
      4   0.597545D+01  0.198115D+01 -0.122121D-01  0.138486D+01  0.817611D+00
      5   0.575594D+00 -0.642462D+00  0.172662D+00  0.134962D+01  0.662373D+00
      6   0.317472D+01  0.112415D+02  0.804755D+01  0.135874D+01  0.414019D+01
               171           172           173           174           175 
      1  -0.253704D+01  0.658129D+02 -0.930489D+01  0.111581D+02 -0.548386D+00
      2   0.244949D+01 -0.354958D+02  0.341235D+01 -0.691126D+01 -0.144801D+01
      3   0.875502D-01 -0.303171D+02  0.589254D+01 -0.424685D+01  0.199639D+01
      4   0.186538D+01 -0.253122D+02  0.110297D+02 -0.325515D+01  0.707996D+01
      5   0.934354D+00  0.170524D+02 -0.176134D+01  0.102803D+02  0.220793D+01
      6   0.292735D+01 -0.459706D+01  0.760982D+00 -0.288238D+01  0.481187D+00
               176           177           178           179           180 
      1   0.263708D+01  0.247272D+01  0.149145D+02  0.664677D+00  0.574243D+01
      2  -0.306420D+00 -0.218379D+01 -0.104348D+02 -0.471709D+00 -0.448448D+01
      3  -0.233066D+01 -0.288939D+00 -0.447976D+01 -0.192968D+00 -0.125795D+01
      4  -0.208546D+01  0.104502D+01 -0.364579D+01  0.177352D+01 -0.308935D+01
      5   0.173721D+01  0.376320D+00  0.115063D+02 -0.220228D+01  0.526226D+01
      6  -0.505728D+00  0.135243D+01 -0.243532D+01  0.165736D+01 -0.887684D+00
 Leave Link  716 at Thu Aug 12 22:46:41 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132619D+03  0.811984D+00  0.248407D+01
      2   0.811984D+00  0.109299D+03  0.437497D+01
      3   0.248407D+01  0.437497D+01  0.724243D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.790934D+00 -0.614704D+00  0.292892D+01
      2   0.114723D+02  0.109432D+02 -0.817745D+01
      3   0.330723D+00 -0.307740D+02 -0.108643D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.667509D+02  0.377417D+01  0.702355D+01
      2  -0.271720D+02 -0.725065D+01 -0.108234D+02
      3  -0.395789D+02  0.347648D+01  0.379985D+01
      4  -0.136465D+02  0.515814D+02  0.259583D+02
      5   0.190517D+02  0.275112D+02 -0.217230D+02
      6   0.958606D+01  0.672556D+01 -0.794454D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.257183D+01 -0.329453D+00 -0.478514D+00 -0.560793D+01 -0.341253D+00
      2  -0.329453D+00  0.255322D+01  0.797043D+00 -0.341253D+00 -0.941388D+00
      3  -0.478514D+00  0.797043D+00  0.138119D+01 -0.866750D+00  0.846656D+00
                 6             7             8             9            10 
      1  -0.866750D+00 -0.183593D+01 -0.227971D+00  0.284263D+01  0.387448D+01
      2   0.846656D+00 -0.227971D+00  0.150985D+01 -0.335768D+01  0.191331D+01
      3  -0.162102D+01  0.284263D+01 -0.335768D+01 -0.870793D+00  0.481783D+00
                11            12            13            14            15 
      1   0.191331D+01  0.481783D+00 -0.679159D+01 -0.874045D+00  0.933100D-01
      2  -0.286250D+01  0.960501D-01 -0.874045D+00 -0.164023D+01  0.846440D+00
      3   0.960501D-01 -0.891209D+00  0.933100D-01  0.846440D+00 -0.130901D+01
                16            17            18            19            20 
      1  -0.150658D+00  0.813834D+00 -0.836953D+00 -0.170532D+02 -0.251181D+01
      2   0.813834D+00  0.414850D+00 -0.330682D+01 -0.251181D+01 -0.272885D+01
      3  -0.836953D+00 -0.330682D+01 -0.235221D+01 -0.765416D+00 -0.276882D+00
                21            22            23            24            25 
      1  -0.765416D+00 -0.301034D+01  0.160842D+01  0.100276D+01 -0.777184D+00
      2  -0.276882D+00  0.160842D+01  0.300817D-01  0.510608D-01  0.948154D+00
      3  -0.160301D+01  0.100276D+01  0.510608D-01 -0.239450D+00 -0.373966D+01
                26            27            28            29            30 
      1   0.948154D+00 -0.373966D+01  0.511246D+01 -0.807472D+00  0.358515D+00
      2   0.138367D+00 -0.593774D+00 -0.807472D+00 -0.322729D+01 -0.824808D+00
      3  -0.593774D+00 -0.130147D+01  0.358515D+00 -0.824808D+00 -0.157312D+01
                31            32            33            34            35 
      1   0.821864D+01 -0.103490D+00  0.145213D+00  0.287620D+01 -0.345642D+00
      2  -0.103490D+00  0.182032D+01 -0.477598D+00 -0.345642D+00 -0.983267D+00
      3   0.145213D+00 -0.477598D+00  0.164130D+01 -0.166364D+01  0.363740D+01
                36            37            38            39            40 
      1  -0.166364D+01 -0.334376D+01 -0.814697D-01 -0.499626D+00  0.497665D+01
      2   0.363740D+01 -0.814697D-01  0.268938D+01 -0.226039D+00 -0.265763D-01
      3   0.985191D+00 -0.499626D+00 -0.226039D+00  0.806826D+00 -0.160936D+00
                41            42            43            44            45 
      1  -0.265763D-01 -0.160936D+00  0.205685D+00 -0.796513D+00  0.222619D+01
      2   0.121416D+01 -0.694685D+00 -0.796513D+00 -0.668669D+00  0.362191D+01
      3  -0.694685D+00  0.153007D+01  0.222619D+01  0.362191D+01  0.222606D+01
                46            47            48            49            50 
      1   0.601381D+01  0.269082D+00 -0.508644D+00  0.951709D+00 -0.574240D+00
      2   0.269082D+00  0.313650D+01  0.158078D+00 -0.574240D+00 -0.101900D+00
      3  -0.508644D+00  0.158078D+00  0.218663D+01 -0.110286D+01 -0.303985D+00
                51            52            53            54            55 
      1  -0.110286D+01 -0.523280D+00 -0.109185D+01  0.528749D+01  0.368762D+01
      2  -0.303985D+00 -0.109185D+01  0.108555D+00  0.128629D+00  0.194327D+01
      3  -0.144701D+00  0.528749D+01  0.128629D+00  0.106777D+01  0.409231D-01
                56            57            58            59            60 
      1   0.194327D+01  0.409231D-01  0.599559D+01  0.421910D+01 -0.988462D+00
      2   0.258388D+01 -0.113280D+01  0.421910D+01  0.734572D+00 -0.306175D+00
      3  -0.113280D+01  0.154263D+01 -0.988462D+00 -0.306175D+00  0.374698D+01
                61            62            63            64            65 
      1   0.316785D+00 -0.164056D+01  0.356868D+01  0.886102D+01  0.309522D+00
      2  -0.164056D+01 -0.146515D+01  0.371065D+01  0.309522D+00 -0.940315D+00
      3   0.356868D+01  0.371065D+01  0.497753D+01  0.124676D+01  0.857014D+00
                66            67            68            69            70 
      1   0.124676D+01  0.821776D+00 -0.210985D+01  0.140638D+01  0.137875D+01
      2   0.857014D+00 -0.210985D+01  0.276962D+01 -0.141585D+01  0.140284D+01
      3   0.723096D-01  0.140638D+01 -0.141585D+01 -0.182522D+01  0.210267D+00
                71            72            73            74            75 
      1   0.140284D+01  0.210267D+00  0.844394D+01  0.927259D+00  0.158754D+01
      2  -0.144388D+01 -0.142055D+01  0.927259D+00 -0.345815D+01  0.109690D+01
      3  -0.142055D+01 -0.462827D+01  0.158754D+01  0.109690D+01 -0.167005D+01
                76            77            78            79            80 
      1  -0.233567D+01 -0.385352D+01  0.153708D+01  0.452370D+01  0.217518D+01
      2  -0.385352D+01  0.278591D+01  0.795053D+00  0.217518D+01  0.192910D+01
      3   0.153708D+01  0.795053D+00 -0.306954D+01 -0.196090D+01 -0.308997D+01
                81            82            83            84            85 
      1  -0.196090D+01 -0.734887D-01  0.440293D+00  0.467876D+00  0.104778D+01
      2  -0.308997D+01  0.440293D+00  0.329724D-01 -0.246478D+00 -0.657790D+00
      3  -0.424990D+01  0.467876D+00 -0.246478D+00  0.243274D+00 -0.656441D+00
                86            87            88            89            90 
      1  -0.657790D+00 -0.656441D+00  0.200223D+01 -0.110411D+01 -0.983318D+00
      2   0.203582D+01  0.107326D+01 -0.110411D+01  0.233873D+01  0.250853D+01
      3   0.107326D+01  0.224836D+01 -0.983318D+00  0.250853D+01  0.468810D+01
                91            92            93            94            95 
      1  -0.187101D+01 -0.690933D+00 -0.160662D+01 -0.256656D+01 -0.157181D+01
      2  -0.690933D+00 -0.739200D+00 -0.212863D+00 -0.157181D+01 -0.124152D+01
      3  -0.160662D+01 -0.212863D+00 -0.136614D+01 -0.529551D+00 -0.139204D+01
                96            97            98            99           100 
      1  -0.529551D+00 -0.414391D+01 -0.471148D+00 -0.277400D+01 -0.401316D+00
      2  -0.139204D+01 -0.471148D+00 -0.144673D+01 -0.185885D+01  0.664422D-01
      3  -0.215882D+01 -0.277400D+01 -0.185885D+01 -0.722383D+01  0.616184D+00
               101           102           103           104           105 
      1   0.664422D-01  0.616184D+00  0.948077D+00  0.247596D+00 -0.475593D+00
      2   0.581349D+00 -0.148889D+00  0.247596D+00  0.390211D+00  0.853528D+00
      3  -0.148889D+00  0.103046D+01 -0.475593D+00  0.853528D+00  0.211738D+01
               106           107           108           109           110 
      1   0.119719D+01  0.819541D-01 -0.553637D+00  0.677929D+00 -0.858852D+00
      2   0.819541D-01  0.128697D+01  0.484058D+00 -0.858852D+00  0.198104D+01
      3  -0.553637D+00  0.484058D+00  0.713060D+01 -0.295849D+00 -0.422629D+00
               111           112           113           114           115 
      1  -0.295849D+00 -0.187887D+01  0.728939D+00  0.894670D-01 -0.660128D+00
      2  -0.422629D+00  0.728939D+00 -0.798558D+01  0.717271D+00 -0.307929D+00
      3   0.674455D+00  0.894670D-01  0.717271D+00 -0.114978D+01  0.303846D+00
               116           117           118           119           120 
      1  -0.307929D+00  0.303846D+00 -0.126416D+02 -0.242407D+01  0.784555D-01
      2  -0.111428D+00 -0.662972D+00 -0.242407D+01 -0.148513D+01  0.155612D+00
      3  -0.662972D+00  0.420670D+00  0.784555D-01  0.155612D+00 -0.122082D+01
               121           122           123           124           125 
      1  -0.749531D+00 -0.111869D+01 -0.200972D+00 -0.210791D+01 -0.472560D+00
      2  -0.111869D+01 -0.979432D+00 -0.817154D-01 -0.472560D+00 -0.626762D+00
      3  -0.200972D+00 -0.817154D-01  0.193921D+00 -0.101248D+01  0.225541D-01
               126           127           128           129           130 
      1  -0.101248D+01 -0.543956D+01  0.212372D+01 -0.278292D+00  0.191161D+01
      2   0.225541D-01  0.212372D+01 -0.227562D+01 -0.160633D+00 -0.251813D+01
      3   0.141698D-01 -0.278292D+00 -0.160633D+00 -0.213001D+00 -0.238053D+00
               131           132           133           134           135 
      1  -0.251813D+01 -0.238053D+00 -0.803092D+00 -0.312059D-01  0.278365D-01
      2   0.666138D+01  0.456241D+00 -0.312059D-01  0.317717D+00  0.615715D-01
      3   0.456241D+00  0.779668D+00  0.278365D-01  0.615715D-01 -0.475003D-01
               136           137           138           139           140 
      1   0.284653D+01  0.291250D+01  0.719662D+00  0.271970D+01  0.400613D+01
      2   0.291250D+01  0.307548D+01  0.714387D+00  0.400613D+01  0.845377D+01
      3   0.719662D+00  0.714387D+00  0.603500D+00  0.804443D+00  0.158804D+01
               141           142           143           144           145 
      1   0.804443D+00  0.738826D+00  0.948854D+00  0.270486D+00  0.130231D+02
      2   0.158804D+01  0.948854D+00  0.176321D+01  0.386020D+00  0.381548D+00
      3   0.118601D+01  0.270486D+00  0.386020D+00  0.259338D+00  0.125021D+01
               146           147           148           149           150 
      1   0.381548D+00  0.125021D+01  0.278648D+00  0.154641D+01  0.318822D+00
      2   0.788183D+00  0.744459D-02  0.154641D+01  0.150995D+00  0.157176D+00
      3   0.744459D-02  0.108353D+01  0.318822D+00  0.157176D+00  0.103104D+00
               151           152           153           154           155 
      1   0.156536D+01  0.331981D+00  0.126517D+00  0.393762D+01 -0.345859D+01
      2   0.331981D+00  0.996937D-01  0.289210D-01 -0.345859D+01  0.342220D+01
      3   0.126517D+00  0.289210D-01  0.177122D+00 -0.326817D+00  0.260341D+00
               156           157           158           159           160 
      1  -0.326817D+00 -0.334525D+01  0.435388D+01  0.615186D+00 -0.279091D+00
      2   0.260341D+00  0.435388D+01 -0.738385D+01 -0.853458D+00  0.448857D+00
      3   0.534333D+00  0.615186D+00 -0.853458D+00 -0.914337D+00  0.554930D-01
               161           162           163           164           165 
      1   0.448857D+00  0.554930D-01 -0.226749D+01 -0.191181D+01 -0.330460D+00
      2  -0.967534D+00 -0.218850D+00 -0.191181D+01 -0.202267D+01 -0.595017D+00
      3  -0.218850D+00 -0.153349D+00 -0.330460D+00 -0.595017D+00 -0.444427D+00
               166           167           168           169           170 
      1  -0.193793D+01 -0.233185D+01 -0.493004D+00 -0.468909D+00 -0.716420D+00
      2  -0.233185D+01 -0.713443D+01 -0.163041D+01 -0.716420D+00 -0.168007D+01
      3  -0.493004D+00 -0.163041D+01 -0.117977D+01 -0.144984D+00 -0.454743D+00
               171           172           173           174           175 
      1  -0.144984D+00 -0.108152D+02  0.178751D+01 -0.175767D+01  0.353470D+00
      2  -0.454743D+00  0.178751D+01 -0.110447D+01  0.104167D+00 -0.629241D+00
      3  -0.371339D+00 -0.175767D+01  0.104167D+00 -0.117736D+01 -0.300047D+00
               176           177           178           179           180 
      1  -0.629241D+00 -0.300047D+00 -0.305462D+01  0.542580D-01 -0.124985D+01
      2   0.361500D+00 -0.228811D+00  0.542580D-01 -0.513535D+00  0.373966D+00
      3  -0.228811D+00  0.648723D-01 -0.124985D+01  0.373966D+00 -0.747899D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.979152D+00 -0.103899D+00  0.193060D+01 -0.141506D+01  0.323916D+00
      2  -0.675486D+00  0.226734D+01  0.229054D+01 -0.940091D+00  0.286080D+01
      3  -0.102552D+01 -0.134481D+02 -0.219305D+01  0.411912D+01 -0.117282D+01
                 6             7             8             9            10 
      1  -0.191209D+01  0.688264D+01  0.252798D+01  0.152944D+01  0.408921D-02
      2  -0.405905D+01 -0.533922D+01 -0.102144D+02 -0.271856D+01  0.310198D+01
      3  -0.190287D+01 -0.378882D+00 -0.394988D+01  0.391388D+01 -0.547760D+00
                11            12            13            14            15 
      1   0.803699D+00 -0.135204D+01  0.126846D+01 -0.792225D+00 -0.222736D+01
      2   0.142071D+01 -0.490838D+00  0.138195D+01 -0.139819D+01 -0.161479D+01
      3  -0.162748D+01 -0.140887D+01  0.922922D+00  0.777810D+01  0.276740D+00
                16            17            18            19            20 
      1  -0.572743D+01  0.229330D+01 -0.129210D+01  0.658496D+00 -0.590487D+00
      2  -0.135327D+02 -0.120010D+01 -0.307503D+01  0.117803D+00 -0.145406D+01
      3  -0.439686D+01 -0.641282D+00  0.602714D+01 -0.687910D+01  0.736710D+01
                21            22            23            24            25 
      1  -0.674232D+00 -0.282682D+01 -0.140102D+01  0.803250D+00  0.106773D+01
      2  -0.179632D+01 -0.183060D+01  0.349493D+00  0.663993D+00 -0.127850D+02
      3   0.546140D+00  0.156999D+02 -0.138439D+00  0.381889D+00  0.119165D-01
                26            27            28            29            30 
      1   0.996997D+01  0.226414D+01 -0.120775D+01 -0.189286D+00  0.206186D+01
      2   0.450758D+00 -0.348054D+00  0.201476D+01 -0.212487D+00 -0.374619D+00
      3   0.312309D+01 -0.797389D+00  0.893246D+01 -0.126427D+01  0.186158D+01
                31            32            33            34            35 
      1  -0.106491D+01 -0.240174D+00 -0.218985D+01  0.524433D+01  0.242029D+01
      2   0.343903D+01  0.118127D+01  0.109040D+01 -0.131073D+02  0.502512D+00
      3   0.657257D+01 -0.582604D+01  0.273238D+00  0.256243D+01 -0.104973D+01
                36            37            38            39            40 
      1  -0.158286D+00  0.880609D+00  0.652209D+00 -0.116811D+01  0.113620D+01
      2  -0.400195D+00  0.171700D+00  0.110461D+01  0.592751D+00  0.941410D+00
      3  -0.547932D+01 -0.372988D+01 -0.104161D+02 -0.189747D+01  0.506796D+01
                41            42            43            44            45 
      1  -0.677705D-01 -0.214680D+01 -0.562092D+01  0.156234D+01 -0.705733D+00
      2  -0.263294D+01  0.407667D+01 -0.740526D+01  0.962230D+01  0.356943D+01
      3  -0.207670D+01  0.149413D+01 -0.836148D+00  0.200379D+01 -0.498423D+01
                46            47            48            49            50 
      1   0.111078D+00 -0.937885D+00 -0.436747D+00 -0.134020D+01 -0.250756D+01
      2  -0.119282D+00  0.548638D-01  0.623992D+01 -0.345025D+01 -0.122473D+00
      3   0.657259D+00 -0.676472D+01 -0.449357D-01  0.115257D+02  0.338251D+01
                51            52            53            54            55 
      1   0.123705D+01 -0.102613D+01  0.114353D+02  0.192358D+01 -0.181372D+01
      2  -0.400603D+00  0.818838D+01  0.530377D+00  0.186588D+01  0.141419D+01
      3   0.175484D+01  0.347101D+01  0.764099D+00  0.971146D+00  0.647709D+01
                56            57            58            59            60 
      1  -0.390168D+00  0.314874D+00 -0.213032D+01 -0.942003D+00  0.130139D+01
      2   0.198055D+01 -0.110417D+01  0.356008D+01  0.233254D+01 -0.578293D+01
      3   0.159586D+01 -0.106741D+01  0.124571D+02 -0.401316D+01  0.473651D+00
                61            62            63            64            65 
      1   0.413437D+01  0.668954D+01 -0.975852D+00 -0.322243D+01 -0.125962D+01
      2  -0.130772D+02 -0.739819D+01 -0.756525D+01  0.193975D+00 -0.120081D+01
      3  -0.117831D+01 -0.412361D+01  0.736256D+01  0.205934D+02 -0.779253D+01
                66            67            68            69            70 
      1   0.385707D-01 -0.678733D+00 -0.795358D+00 -0.787626D+00 -0.433963D+01
      2   0.351252D+01 -0.170077D+01  0.231182D+01  0.409770D+01 -0.389078D+01
      3   0.465079D+01  0.392793D+01  0.578822D+01 -0.256362D+01  0.543194D+01
                71            72            73            74            75 
      1   0.782543D+01  0.935016D+01  0.414769D+01 -0.180214D+01 -0.220108D+01
      2   0.553026D+01  0.104105D+02 -0.109635D+02 -0.468813D+01  0.595174D+01
      3  -0.209164D+01 -0.403791D+01 -0.904511D+01 -0.153437D+02  0.804526D+00
                76            77            78            79            80 
      1   0.374522D+00  0.837715D+01 -0.703494D+01 -0.123118D+01 -0.255196D+01
      2  -0.600015D+01 -0.222034D+00  0.671246D+01  0.148636D+01  0.669859D+01
      3  -0.942491D+01  0.169509D+02  0.279492D+00  0.170725D+01  0.160784D+01
                81            82            83            84            85 
      1  -0.720654D+01 -0.548497D+00  0.519132D+00 -0.206774D+00  0.119925D+01
      2   0.118028D+02 -0.186666D+01  0.837400D+00 -0.118199D+00  0.157341D+01
      3  -0.640007D+01  0.190286D+01  0.402405D+00  0.791053D-01  0.795477D+00
                86            87            88            89            90 
      1  -0.227474D+01 -0.518921D+01  0.236320D+01 -0.308261D+01 -0.104714D+02
      2  -0.274492D+01 -0.587387D+01  0.113138D+00 -0.649503D+01 -0.110996D+02
      3   0.427460D+01  0.210359D+01  0.856519D+00  0.589129D+01  0.618337D+01
                91            92            93            94            95 
      1  -0.821683D+00  0.118230D+01 -0.470228D+00  0.112476D+01  0.653665D+00
      2   0.153152D+01  0.416283D+00  0.263624D+01 -0.312557D+00  0.136794D+01
      3  -0.149748D+01 -0.355492D+01 -0.301038D+00 -0.167855D+01 -0.153076D+01
                96            97            98            99           100 
      1  -0.117556D+01 -0.126507D+01  0.197704D+01 -0.129206D+01  0.871247D+00
      2   0.395433D+01  0.100802D+01  0.298930D+01  0.117811D+02 -0.187219D+01
      3  -0.303538D+01  0.151607D+00 -0.305252D+01 -0.401331D+01  0.737854D+00
               101           102           103           104           105 
      1   0.968799D+00  0.101282D+01  0.115495D+00  0.210770D+01  0.199698D+01
      2   0.810427D-01 -0.214823D+01 -0.234560D+00 -0.232782D+01 -0.497092D+01
      3   0.108777D+01 -0.820971D+00  0.128243D+01  0.682142D+00  0.221426D+01
               106           107           108           109           110 
      1  -0.365051D+00  0.469111D+01  0.999920D+01 -0.184386D+01  0.159012D+01
      2  -0.288830D+01 -0.185146D+01 -0.173276D+02 -0.170055D+00  0.149934D+01
      3  -0.123158D+01  0.341078D+01  0.208768D+01 -0.657886D+01  0.689698D+01
               111           112           113           114           115 
      1   0.163998D+01  0.159391D+01 -0.579680D+01 -0.341850D+01  0.808704D+00
      2  -0.979205D+00  0.137245D+01 -0.272671D+01  0.210095D+01 -0.157938D+01
      3  -0.271066D-01  0.937007D+01 -0.220725D+02  0.136981D+01  0.121343D+01
               116           117           118           119           120 
      1  -0.823891D-01  0.284060D+00 -0.622771D+00 -0.804369D+00 -0.202917D+01
      2   0.120585D+01 -0.891425D+00  0.714377D+01  0.795771D+00  0.644417D+01
      3  -0.482443D+00 -0.224862D+01  0.978994D+01 -0.458834D+01  0.598701D+00
               121           122           123           124           125 
      1  -0.497332D+00 -0.781656D+00 -0.467107D+00 -0.129057D+01  0.657323D+00
      2   0.139249D+01  0.669601D+00 -0.277629D+00  0.203757D+01 -0.228701D+00
      3   0.495633D-01 -0.208256D+01 -0.279070D+00  0.493379D+00 -0.123124D+01
               126           127           128           129           130 
      1  -0.314972D-01  0.172019D+01 -0.347284D+00  0.160375D+01  0.135786D+00
      2   0.477423D+00  0.143309D+01 -0.147748D+00 -0.100730D+00 -0.431594D+00
      3   0.144622D+01 -0.167053D+02  0.462806D+01 -0.978964D+00  0.680768D+01
               131           132           133           134           135 
      1  -0.888727D-02 -0.324229D+01 -0.371304D+00  0.175481D+01  0.123632D+00
      2   0.797065D+00 -0.706793D+00 -0.136568D+01  0.322364D+00 -0.670350D-01
      3  -0.616573D+01 -0.803873D+00 -0.193932D+01  0.861657D-01  0.117157D+00
               136           137           138           139           140 
      1  -0.268142D+00 -0.234270D-01 -0.193095D+01 -0.126152D+00  0.471451D+00
      2   0.513741D+00  0.822108D+00  0.212770D+01  0.636526D+00  0.252965D+01
      3  -0.978185D+00 -0.314270D+01 -0.480438D+00 -0.196073D+01 -0.128828D+02
               141           142           143           144           145 
      1  -0.405724D+01  0.605967D+00  0.180908D+01 -0.510359D+00 -0.113124D+00
      2   0.353263D+01 -0.437751D+00 -0.200192D+00  0.610395D+00  0.182163D+01
      3  -0.219158D+01 -0.383003D+00 -0.252886D+01 -0.268648D+00  0.334851D+00
               146           147           148           149           150 
      1   0.425165D+00 -0.222121D+00  0.201445D+00  0.751423D-02 -0.314074D+00
      2  -0.137165D+00  0.646798D+01  0.124275D+01  0.341785D+00  0.378653D+00
      3  -0.527303D+01  0.250069D+00 -0.385652D+01 -0.269173D+00 -0.405155D+00
               151           152           153           154           155 
      1   0.699937D-01  0.445214D+00 -0.432587D-01  0.250305D+00 -0.587863D+00
      2  -0.241793D+01  0.883141D-01  0.640903D+00  0.264294D+00 -0.319419D+00
      3  -0.113206D+01 -0.568842D+00 -0.295457D+00  0.118475D+01 -0.442319D+01
               156           157           158           159           160 
      1   0.207122D+01  0.261898D+00  0.225063D+00 -0.364622D+01 -0.922210D+00
      2   0.237212D+01  0.459127D+00 -0.965331D+00 -0.330762D+01 -0.679854D+00
      3  -0.411637D-01 -0.302219D+01  0.119677D+02  0.102257D+01 -0.600770D+00
               161           162           163           164           165 
      1   0.149735D+01 -0.273130D+00  0.846309D+00  0.318117D+00 -0.170063D+01
      2   0.623900D+00 -0.300997D+00 -0.168907D+01 -0.964113D+00  0.199144D+00
      3   0.191496D+01  0.302542D+00  0.807608D+01  0.433123D+01  0.582300D+00
               166           167           168           169           170 
      1   0.641837D+00  0.969300D+00 -0.364262D+01  0.390395D+00  0.220968D+01
      2  -0.159983D+01 -0.160522D+01  0.334521D+00 -0.165850D+01 -0.492241D+00
      3   0.773705D+01  0.792341D+01  0.174287D+01  0.126378D+01  0.233937D+01
               171           172           173           174           175 
      1  -0.397753D+00  0.195111D+01  0.576885D+00  0.171841D+01  0.782953D+00
      2   0.157364D+00 -0.112325D+01  0.326374D-01  0.448853D+01  0.501179D+00
      3   0.235715D+00 -0.121067D+02 -0.331866D+01 -0.229942D+01 -0.774536D-01
               176           177           178           179           180 
      1   0.283714D+00 -0.982230D-01  0.999545D+00  0.599563D+00  0.713500D-01
      2   0.368231D-02  0.518995D-01  0.101626D+01 -0.891773D+00  0.123384D+01
      3  -0.109509D+00 -0.961377D+00 -0.508632D+01 -0.142131D+01 -0.122450D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237423D+01  0.221267D+02  0.450016D+01 -0.249754D+02  0.739228D+01
      2  -0.468194D+01 -0.137022D+02 -0.637279D+00  0.230111D+02 -0.112731D+02
      3   0.230771D+01 -0.842458D+01 -0.386288D+01  0.196431D+01  0.388087D+01
      4   0.187407D+02  0.265680D+01  0.425513D+01  0.664620D+01  0.110698D+02
      5   0.531517D+00  0.401069D+01  0.503829D+01 -0.340636D+01  0.694448D+01
      6   0.204006D+01 -0.313531D+01 -0.489423D+01  0.585744D+01 -0.522641D+01
                 6             7             8             9            10 
      1   0.900805D+00 -0.695529D+01  0.602876D+01  0.683675D+00  0.724410D+01
      2  -0.992942D+00  0.825466D+01 -0.819327D+01 -0.616617D+01 -0.598773D+01
      3   0.921369D-01 -0.129938D+01  0.216451D+01  0.548250D+01 -0.125638D+01
      4   0.765815D+01  0.245170D+01  0.695579D+01 -0.150090D+02 -0.129790D+02
      5  -0.840213D+01  0.177653D+02 -0.153778D+02 -0.687544D+01 -0.517638D+00
      6   0.473813D+01 -0.802228D+01  0.128896D+02 -0.144094D+01 -0.238251D+01
                11            12            13            14            15 
      1  -0.132536D+02 -0.382496D-01  0.133707D+01  0.730116D+01  0.472157D+01
      2   0.110968D+02 -0.683896D+00 -0.866285D+01 -0.996091D+01 -0.574494D+01
      3   0.215678D+01  0.722146D+00  0.732578D+01  0.265975D+01  0.102337D+01
      4  -0.170212D+02 -0.401729D+01  0.112905D+02 -0.120375D+02 -0.141849D+01
      5  -0.401984D+01 -0.314116D+01  0.121117D+01 -0.162242D+01 -0.109720D+01
      6  -0.162356D+01  0.313631D+01 -0.471154D+01 -0.854563D+01  0.273797D+01
                16            17            18            19            20 
      1   0.177987D+01  0.154066D+01 -0.157907D+02 -0.225688D+02 -0.135053D+00
      2  -0.442121D+01 -0.687429D+01  0.945963D+00  0.785681D+01 -0.174505D+00
      3   0.264134D+01  0.533363D+01  0.148448D+02  0.147120D+02  0.309558D+00
      4   0.164600D+00 -0.380747D+01 -0.599545D+01  0.121528D+02  0.296199D+01
      5  -0.177410D+00 -0.499416D+01 -0.521824D+01  0.559304D+00  0.291785D+00
      6   0.349390D+01  0.127166D+02  0.543462D+01 -0.938521D+00  0.100835D+00
                21            22            23            24            25 
      1   0.448324D+00  0.675902D+00 -0.797179D+01  0.128861D+00 -0.735929D+01
      2  -0.579102D+00 -0.156314D+01  0.124592D+02  0.360237D+01  0.186998D+01
      3   0.130778D+00  0.887243D+00 -0.448743D+01 -0.373123D+01  0.548931D+01
      4   0.739690D+00 -0.111013D+02 -0.275795D+01 -0.170055D+01 -0.294872D+01
      5  -0.476470D+00 -0.342612D+01 -0.101397D+01  0.123401D+01  0.268815D+01
      6   0.408340D+00 -0.272410D+01  0.232976D+01 -0.149393D+01 -0.969142D+00
                26            27            28            29            30 
      1  -0.882964D+00 -0.978384D+01  0.373232D+01  0.159144D+02  0.418738D+01
      2   0.148973D+01 -0.335894D+01 -0.402097D+01 -0.120825D+02 -0.151341D+01
      3  -0.606770D+00  0.131428D+02  0.288651D+00 -0.383193D+01 -0.267398D+01
      4  -0.302112D+01  0.267494D+01  0.911742D+01 -0.108280D+02 -0.239803D-01
      5   0.196916D+01 -0.778270D+00  0.130996D+01 -0.381598D+00 -0.422490D+00
      6   0.422389D+01 -0.366525D+01  0.346057D+01 -0.321396D+01 -0.451013D+01
                31            32            33            34            35 
      1  -0.129311D+01  0.330346D+01  0.224669D+01 -0.158242D+00  0.339078D+01
      2   0.999378D+01 -0.726752D+01 -0.172000D+01  0.263624D+01 -0.489754D+01
      3  -0.870068D+01  0.396407D+01 -0.526696D+00 -0.247800D+01  0.150676D+01
      4   0.503000D+01  0.134637D+02  0.212572D+01  0.134237D+01 -0.181311D+01
      5   0.137152D+01  0.199347D+01  0.845800D+00  0.358256D+01  0.309329D+01
      6   0.563644D+01 -0.303732D+01  0.541172D+01 -0.334286D+01  0.146193D+02
                36            37            38            39            40 
      1  -0.148894D+02  0.262395D+01 -0.212100D+02 -0.238200D+01  0.245953D+02
      2   0.297191D+01 -0.305988D+01  0.143069D+02  0.125285D+01 -0.219667D+02
      3   0.119175D+02  0.435928D+00  0.690311D+01  0.112914D+01 -0.262869D+01
      4   0.280311D+01 -0.126062D+02 -0.499103D+01 -0.515138D+01  0.700184D+01
      5  -0.119144D+01 -0.411914D+01 -0.487610D+01 -0.456644D+00 -0.241140D+00
      6   0.121946D+01 -0.549191D+01 -0.157134D+01  0.324528D+01 -0.446361D+01
                41            42            43            44            45 
      1   0.107404D+02  0.274484D+01  0.278876D+01 -0.267846D+01 -0.454571D+01
      2  -0.136930D+02 -0.525696D+01 -0.654377D+01 -0.512001D+01 -0.462426D+01
      3   0.295263D+01  0.251211D+01  0.375500D+01  0.779846D+01  0.916997D+01
      4  -0.406073D+01 -0.500636D+01 -0.491786D+01 -0.915472D+01  0.154861D+02
      5  -0.513575D+01  0.880507D+01  0.129828D+02  0.157995D+02  0.721124D+01
      6  -0.834120D+01  0.369398D+01  0.690708D+01  0.137026D+02  0.272693D+01
                46            47            48            49            50 
      1  -0.816301D+01 -0.696824D+00 -0.598474D+01  0.426297D+01 -0.217419D+02
      2   0.567552D+01  0.621756D+00  0.372718D+01 -0.248152D+01  0.179348D+02
      3   0.248749D+01  0.750682D-01  0.225756D+01 -0.178146D+01  0.380713D+01
      4  -0.119593D+01  0.223062D+02  0.127962D+01 -0.205656D+02 -0.615838D+01
      5  -0.762310D+01  0.112702D+01  0.137680D+02 -0.101016D+02 -0.276396D+01
      6   0.108487D+01  0.760810D+00  0.108689D+01 -0.275931D+01  0.330014D+01
                51            52            53            54            55 
      1  -0.652516D+01 -0.974186D+01 -0.688753D+01  0.146815D+02  0.145164D+02
      2   0.782716D+01  0.377553D+01  0.579223D+01 -0.182018D+02 -0.559369D+01
      3  -0.130200D+01  0.596633D+01  0.109530D+01  0.352036D+01 -0.892269D+01
      4  -0.358269D+01 -0.112383D+02  0.864451D+00 -0.654110D+00 -0.776873D+01
      5  -0.110813D+01  0.357664D+02  0.156313D+00  0.508140D+01  0.601982D-01
      6  -0.268919D+01  0.230850D+00  0.453063D+01 -0.294351D+01  0.783501D-01
                56            57            58            59            60 
      1   0.473681D+00 -0.314568D+00  0.247794D+01 -0.713943D+01  0.153358D+01
      2   0.210852D+01  0.631076D+00  0.381412D+01  0.370553D+01 -0.259451D+00
      3  -0.258220D+01 -0.316508D+00 -0.629205D+01  0.343390D+01 -0.127412D+01
      4  -0.157441D+02  0.439452D+01 -0.270208D+02 -0.204500D+01  0.274865D+01
      5   0.479346D+01 -0.102734D+02  0.789078D+01  0.180888D+01 -0.153354D+02
      6   0.215269D+01 -0.147217D+01  0.365262D+01  0.559415D+01 -0.987039D+01
                61            62            63            64            65 
      1   0.100291D+02  0.547784D+01  0.298135D+00 -0.406111D+02  0.491186D+01
      2   0.253701D+01  0.228655D+01  0.823091D+01  0.251545D+02 -0.545524D+01
      3  -0.125661D+02 -0.776439D+01 -0.852904D+01  0.154566D+02  0.543382D+00
      4   0.109917D+02  0.879816D+01 -0.195824D+02  0.123967D+02  0.101803D+02
      5  -0.181824D+02 -0.179251D+02 -0.204285D+02 -0.126229D+02 -0.383571D+01
      6  -0.101679D+02 -0.427622D+01 -0.501702D+01  0.325702D+01  0.231425D+01
                66            67            68            69            70 
      1  -0.926320D+01 -0.309728D+01 -0.187511D+01 -0.486475D+00 -0.917367D+01
      2   0.628571D+01 -0.181986D+01  0.140941D+02 -0.993231D+00  0.751564D+01
      3   0.297749D+01  0.491714D+01 -0.122190D+02  0.147971D+01  0.165803D+01
      4  -0.255186D+01  0.196738D+02 -0.180104D+02  0.781358D+01 -0.663996D+01
      5   0.323843D+01 -0.993154D+01  0.711197D+01  0.759075D+01  0.165370D+01
      6  -0.868647D+00  0.266185D+01 -0.829620D+01  0.257019D+01  0.251656D+01
                71            72            73            74            75 
      1   0.114493D+01 -0.165984D+01 -0.530856D+02 -0.164721D+02 -0.197849D+01
      2  -0.239199D+01 -0.618407D+01  0.218732D+02  0.157064D+02  0.383466D+01
      3   0.124706D+01  0.784392D+01  0.312124D+02  0.765696D+00 -0.185617D+01
      4   0.944271D+01  0.767778D+01 -0.185861D+02  0.136782D+02 -0.600526D+01
      5   0.704813D+01  0.218254D+02 -0.280319D+01 -0.340788D+01  0.965256D+01
      6  -0.877363D+00 -0.155110D+02 -0.404748D+01 -0.554632D+01  0.382135D+01
                76            77            78            79            80 
      1  -0.920496D+01  0.201997D+02  0.219311D+01 -0.107649D+02  0.276815D+00
      2   0.841027D+01 -0.231305D+02  0.550401D+01  0.490875D+01  0.209361D+01
      3   0.794693D+00  0.293086D+01 -0.769712D+01  0.585612D+01 -0.237042D+01
      4   0.181879D+02 -0.490124D+01 -0.490672D+01 -0.149342D+02 -0.979357D+01
      5  -0.789825D+01 -0.753004D+01  0.143627D+02  0.134068D+02  0.157326D+02
      6  -0.602967D+01 -0.310872D+01  0.765938D+01  0.734508D+01  0.849280D+01
                81            82            83            84            85 
      1   0.112928D+02  0.177862D+01 -0.307960D+01 -0.252883D+01 -0.441930D+01
      2   0.882812D+01 -0.701013D+00  0.106904D+01  0.515362D+00  0.105042D+01
      3  -0.201209D+02 -0.107761D+01  0.201056D+01  0.201347D+01  0.336888D+01
      4   0.190491D+02 -0.381662D+01  0.124671D+01  0.277608D+01  0.559428D+01
      5   0.160084D+02 -0.268683D+01  0.212117D+01  0.638269D+00  0.378101D+01
      6   0.249852D+00  0.183540D+01 -0.852055D+00  0.171134D+00 -0.223248D+01
                86            87            88            89            90 
      1  -0.323244D+01 -0.605494D+00 -0.684143D+01 -0.130656D+01 -0.590105D+01
      2   0.496622D+01  0.252426D+01  0.288737D+01  0.324026D+01  0.250607D+01
      3  -0.173378D+01 -0.191877D+01  0.395405D+01 -0.193370D+01  0.339498D+01
      4  -0.992842D+01 -0.607397D+01  0.873026D+01 -0.123535D+02 -0.121642D+02
      5  -0.529449D+01 -0.113992D+02  0.660320D+01 -0.123673D+02 -0.229157D+02
      6   0.484165D+01  0.948845D+01 -0.330941D+01  0.104923D+02  0.152623D+02
                91            92            93            94            95 
      1   0.430068D+01  0.128699D+01  0.382237D+01  0.909144D+00 -0.235856D+01
      2  -0.592401D+01 -0.123776D+01 -0.419273D+01 -0.225569D+01 -0.341381D+00
      3   0.162333D+01 -0.492347D-01  0.370358D+00  0.134654D+01  0.269994D+01
      4   0.424906D+01  0.667096D+01  0.223009D+01  0.960861D+01  0.585339D+01
      5   0.904508D+01  0.226163D+01  0.116818D+02  0.351014D+01  0.593884D+01
      6   0.286456D+01  0.148432D+00  0.156573D+01  0.198407D+01  0.447113D+01
                96            97            98            99           100 
      1  -0.294122D+01  0.284241D+01 -0.316451D+01 -0.104120D+02  0.317326D+01
      2  -0.844452D+00 -0.845506D+01 -0.218995D+01 -0.141799D+02 -0.365115D+01
      3   0.378567D+01  0.561265D+01  0.535446D+01  0.245919D+02  0.477885D+00
      4   0.623613D+01  0.304951D+01  0.681556D+01  0.882095D+01  0.100394D+01
      5   0.914868D+01  0.179932D+02  0.838325D+01  0.307746D+02 -0.222583D+01
      6   0.912327D+01  0.464136D+01  0.668415D+01  0.108336D+02 -0.245810D-01
               101           102           103           104           105 
      1   0.139824D+01 -0.586418D+01 -0.199533D+01 -0.428020D+01 -0.205444D+01
      2  -0.169983D+01  0.482707D+00  0.171625D+01  0.963557D+00 -0.544506D+01
      3   0.301594D+00  0.538147D+01  0.279073D+00  0.331664D+01  0.749950D+01
      4  -0.175132D+01 -0.410675D+00 -0.587158D+00 -0.287413D+01 -0.409891D+01
      5   0.908418D+00  0.374724D+00  0.390231D+01 -0.294631D+01 -0.937044D+01
      6   0.163266D+01 -0.131561D+01  0.205520D+00  0.190278D+01  0.289371D+01
               106           107           108           109           110 
      1  -0.589814D+01 -0.134721D+00 -0.167020D+02 -0.194384D+01  0.962527D+01
      2   0.429126D+01 -0.404064D+01 -0.168913D+02  0.451289D+01 -0.109307D+02
      3   0.160688D+01  0.417536D+01  0.335933D+02 -0.256905D+01  0.130543D+01
      4  -0.238239D+01 -0.651069D+01 -0.453830D+01  0.735315D+00 -0.355918D+01
      5   0.775914D+01 -0.221899D+01 -0.298003D+02  0.177144D+01 -0.491785D-01
      6   0.884838D+00  0.424363D+01 -0.926677D+01 -0.527002D-01  0.263346D+01
               111           112           113           114           115 
      1  -0.755674D+00  0.100247D+02 -0.264650D+02  0.227983D+01  0.169502D+01
      2  -0.170653D+00 -0.767834D+01  0.397869D+02 -0.109188D+01 -0.100377D+01
      3   0.926327D+00 -0.234637D+01 -0.133219D+02 -0.118795D+01 -0.691253D+00
      4   0.147136D+01  0.395656D+01  0.300031D+02 -0.295317D+01  0.238579D+01
      5  -0.210371D+01 -0.290295D+01 -0.820972D+00  0.433127D+01 -0.150699D+00
      6  -0.271862D+01  0.629642D+00 -0.851941D+01  0.657144D+01 -0.160974D+01
               116           117           118           119           120 
      1   0.927402D+00 -0.523953D+01  0.784419D+02  0.109947D+02  0.225283D+01
      2   0.673333D+00  0.282788D+01 -0.368874D+02 -0.221632D+01  0.369001D+00
      3  -0.160073D+01  0.241166D+01 -0.415545D+02 -0.877838D+01 -0.262183D+01
      4   0.127485D+01  0.119224D+01  0.334771D+02  0.167080D+02 -0.249270D+00
      5   0.188110D+01 -0.119902D+01 -0.924742D+01 -0.208701D+01  0.107444D+02
      6   0.591716D+01 -0.865839D+00 -0.621137D+00 -0.162470D+01  0.379067D+01
               121           122           123           124           125 
      1   0.298805D+01  0.494104D+01  0.237815D+00  0.976436D+01  0.796932D+00
      2   0.124880D+01  0.821634D+00 -0.454199D+00 -0.403024D+01  0.295588D+00
      3  -0.423685D+01 -0.576267D+01  0.216384D+00 -0.573412D+01 -0.109252D+01
      4   0.125380D+02  0.758677D+01  0.598138D+00  0.461003D+01  0.365831D+01
      5   0.241635D+00 -0.102463D+00 -0.427811D+00  0.940821D+01  0.533367D+00
      6  -0.853239D+00 -0.561779D+00  0.859048D+00  0.311004D+01  0.809020D+00
               126           127           128           129           130 
      1   0.564598D+01  0.168003D+01  0.666088D+01  0.133687D+01  0.825099D+01
      2  -0.501701D+01  0.207149D+01 -0.964931D+01 -0.935659D+00 -0.111043D+02
      3  -0.628977D+00 -0.375152D+01  0.298843D+01 -0.401211D+00  0.285332D+01
      4   0.149155D+01 -0.121630D+02  0.647973D+01  0.290239D+00  0.601055D+01
      5   0.434213D+00  0.919397D+00  0.965330D+00  0.487019D+00  0.100613D+01
      6   0.677662D+00 -0.144591D+01 -0.291668D+00 -0.176469D+01 -0.992494D+00
               131           132           133           134           135 
      1  -0.240322D+02 -0.198011D+01  0.142809D+01 -0.107739D+01 -0.616365D+00
      2   0.327321D+02  0.156236D+01 -0.142399D+01  0.165134D+01  0.111062D+01
      3  -0.869989D+01  0.417748D+00 -0.409840D-02 -0.573948D+00 -0.494258D+00
      4  -0.605073D+01 -0.510937D+00 -0.822018D+00  0.275251D+00 -0.143610D+01
      5  -0.940570D+00 -0.816370D+00  0.100598D+01 -0.829524D+00  0.167474D-01
      6   0.239546D+01  0.523212D+01 -0.605492D+00  0.166203D+01  0.270336D+00
               136           137           138           139           140 
      1   0.836717D+01  0.643860D+01  0.118296D+01  0.122320D+01 -0.100364D+02
      2   0.189471D+01  0.435820D+01  0.116324D-01  0.103743D+02  0.307396D+02
      3  -0.102619D+02 -0.107968D+02 -0.119459D+01 -0.115975D+02 -0.207032D+02
      4   0.222359D+02  0.251359D+02  0.516423D+01  0.271901D+02  0.468110D+02
      5   0.477783D+01  0.489974D+01  0.529988D+01  0.503360D+01  0.783219D+01
      6   0.349076D+01  0.388810D+01  0.328858D+01  0.490395D+01  0.101753D+02
               141           142           143           144           145 
      1  -0.212604D+01  0.983014D+00 -0.127351D+01 -0.126766D+01  0.985980D+02
      2   0.373337D+01  0.143953D+01  0.481379D+01  0.200605D+01 -0.566838D+02
      3  -0.160733D+01 -0.242255D+01 -0.354027D+01 -0.738391D+00 -0.419142D+02
      4   0.841307D+01  0.664407D+01  0.973527D+01  0.335344D+01  0.408223D+01
      5   0.631587D+01  0.217135D+01  0.277487D+01  0.198263D+01  0.116584D+02
      6   0.824665D+01  0.210624D+01  0.422168D+01  0.269337D+01 -0.190638D+01
               146           147           148           149           150 
      1   0.281964D+01  0.779714D+01  0.167534D+01  0.909584D+01  0.134188D+01
      2  -0.137676D+01 -0.545881D+01 -0.770192D+00 -0.455701D+01 -0.114729D+01
      3  -0.144288D+01 -0.233834D+01 -0.905150D+00 -0.453884D+01 -0.194592D+00
      4   0.865127D+01 -0.204820D-01  0.144422D+02  0.120338D+01  0.135764D+01
      5  -0.380231D-02  0.114785D+02  0.252318D+01  0.140290D+01  0.603680D+00
      6   0.540146D+00  0.360873D-01  0.998116D+00 -0.210344D+00  0.154154D+01
               151           152           153           154           155 
      1   0.109802D+02  0.154255D+01  0.352765D+01  0.152997D+02 -0.101396D+02
      2  -0.654776D+01 -0.989110D+00 -0.240330D+01 -0.677408D+00 -0.329611D+01
      3  -0.443245D+01 -0.553443D+00 -0.112435D+01 -0.146223D+02  0.134357D+02
      4   0.262186D+01  0.114716D+01  0.558847D+00 -0.283636D+02  0.287385D+02
      5   0.380198D+01  0.370238D+00  0.226276D+01 -0.358032D+01  0.264750D+01
      6   0.627771D-01  0.781900D+00  0.346842D+00  0.121645D+01 -0.103315D+01
               156           157           158           159           160 
      1  -0.136140D+01 -0.565666D+01 -0.174427D+01  0.762089D-01  0.328800D+00
      2   0.392391D+00 -0.858068D+01  0.228485D+02  0.103072D+01 -0.143763D+01
      3   0.969007D+00  0.142373D+02 -0.211042D+02 -0.110693D+01  0.110883D+01
      4   0.240317D+01  0.316678D+02 -0.462504D+02 -0.524803D+01  0.315242D+01
      5   0.513151D+01  0.465296D+01 -0.595654D+01 -0.583009D+01  0.168472D+01
      6  -0.294264D+01 -0.293503D+01  0.447589D+01  0.631030D+01 -0.138333D+01
               161           162           163           164           165 
      1  -0.959354D+00 -0.809849D+00 -0.474575D+01 -0.727674D+01 -0.290273D+01
      2   0.271145D+01  0.135132D+01  0.591312D+01  0.859990D+01  0.192418D+01
      3  -0.175210D+01 -0.541471D+00 -0.116737D+01 -0.132316D+01  0.978550D+00
      4  -0.510445D+01 -0.250461D+01  0.541238D+01  0.674926D+01  0.105620D+01
      5  -0.167701D+01 -0.903030D+00  0.224836D+00  0.770687D+00  0.148450D+01
      6   0.266738D+01  0.133059D+01  0.218016D+01  0.395969D+01  0.281873D+01
               166           167           168           169           170 
      1  -0.777153D+01 -0.275994D+02 -0.707562D+01 -0.229746D+01 -0.634300D+01
      2   0.979479D+01  0.352094D+02  0.618322D+01  0.252619D+01  0.720399D+01
      3  -0.202326D+01 -0.761005D+01  0.892396D+00 -0.228726D+00 -0.860981D+00
      4   0.597545D+01  0.198115D+01 -0.122121D-01  0.138486D+01  0.817611D+00
      5   0.575594D+00 -0.642462D+00  0.172662D+00  0.134962D+01  0.662373D+00
      6   0.317472D+01  0.112415D+02  0.804755D+01  0.135874D+01  0.414019D+01
               171           172           173           174           175 
      1  -0.253704D+01  0.658129D+02 -0.930489D+01  0.111581D+02 -0.548386D+00
      2   0.244949D+01 -0.354958D+02  0.341235D+01 -0.691126D+01 -0.144801D+01
      3   0.875502D-01 -0.303171D+02  0.589254D+01 -0.424685D+01  0.199639D+01
      4   0.186538D+01 -0.253122D+02  0.110297D+02 -0.325515D+01  0.707996D+01
      5   0.934354D+00  0.170524D+02 -0.176134D+01  0.102803D+02  0.220793D+01
      6   0.292735D+01 -0.459706D+01  0.760982D+00 -0.288238D+01  0.481187D+00
               176           177           178           179           180 
      1   0.263708D+01  0.247272D+01  0.149145D+02  0.664677D+00  0.574243D+01
      2  -0.306420D+00 -0.218379D+01 -0.104348D+02 -0.471709D+00 -0.448448D+01
      3  -0.233066D+01 -0.288939D+00 -0.447976D+01 -0.192968D+00 -0.125795D+01
      4  -0.208546D+01  0.104502D+01 -0.364579D+01  0.177352D+01 -0.308935D+01
      5   0.173721D+01  0.376320D+00  0.115063D+02 -0.220228D+01  0.526226D+01
      6  -0.505728D+00  0.135243D+01 -0.243532D+01  0.165736D+01 -0.887684D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104781D+03      0.155269D+02      0.172760D+02
   aniso      0.533046D+02      0.789892D+01      0.878874D+01
   xx         0.132619D+03      0.196521D+02      0.218659D+02
   yx         0.811984D+00      0.120324D+00      0.133878D+00
   yy         0.109299D+03      0.161964D+02      0.180209D+02
   zx         0.248407D+01      0.368101D+00      0.409568D+00
   zy         0.437497D+01      0.648304D+00      0.721335D+00
   zz         0.724243D+02      0.107322D+02      0.119412D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104781D+03      0.155269D+02      0.172760D+02
   aniso      0.533046D+02      0.789892D+01      0.878874D+01
   xx         0.955338D+02      0.141567D+02      0.157514D+02
   yx        -0.136224D+02     -0.201863D+01     -0.224603D+01
   yy         0.105341D+03      0.156100D+02      0.173684D+02
   zx        -0.258111D+02     -0.382481D+01     -0.425568D+01
   zy        -0.383512D+01     -0.568306D+00     -0.632326D+00
   zz         0.113467D+03      0.168141D+02      0.187082D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-33\Freq\RwB97XD\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.015699,-1.
 138132,-0.153815\C,0.638227,-1.184978,-0.311533\C,-0.141832,-0.032477,
 -0.18962\C,0.500424,1.172188,0.084373\C,1.881262,1.2216,0.250761\C,2.6
 44485,0.068526,0.135177\C,-1.649929,-0.124479,-0.356486\N,-2.274918,1.
 199425,-0.317152\C,-2.260426,-1.102776,0.659981\H,-2.265656,1.564094,0
 .630511\H,-1.839228,-0.517618,-1.360895\H,-2.090423,-0.739339,1.6764\H
 ,-1.8261,-2.100418,0.585451\H,-3.337367,-1.189506,0.500207\H,-0.079749
 ,2.081767,0.140221\H,2.359886,2.169228,0.463823\H,3.718801,0.10798,0.2
 60806\H,2.599874,-2.043659,-0.25867\H,0.164968,-2.131705,-0.542207\H,-
 3.248037,1.126363,-0.5886\\Version=ES64L-G16RevA.03\State=1-A\HF=-366.
 3988941\RMSD=4.514e-09\RMSF=8.194e-06\ZeroPoint=0.1736624\Thermal=0.18
 21417\Dipole=-0.4480794,-0.2692255,0.2511308\DipoleDeriv=0.0098829,-0.
 0484003,0.0017367,-0.065914,0.0785879,0.0339891,0.0028256,0.0294218,-0
 .1312579,-0.1317486,0.0388821,0.0210188,0.0789616,0.0431167,0.0450492,
 0.0264304,0.0381182,-0.1158342,0.2427258,0.0445473,0.0168296,0.0357871
 ,-0.0982085,0.0291939,0.0843816,0.0356876,-0.0753273,-0.1479976,-0.064
 0088,0.0179812,-0.0821796,0.003961,-0.0075778,-0.0023024,-0.0219573,-0
 .1190264,0.0148527,0.0532214,0.0242325,0.052502,0.1001104,0.0458168,0.
 0258315,0.0459204,-0.1215343,0.0410268,0.0017405,0.0318017,0.0130379,-
 0.0910564,0.0141992,0.0227771,0.010022,-0.1408826,0.3926127,-0.1295633
 ,-0.0322384,-0.1956202,0.4770565,-0.1327442,-0.0629684,-0.0529525,0.26
 31018,-0.4440241,0.0763182,0.0550472,0.1160772,-0.6616735,0.1994734,0.
 0143713,0.1859538,-0.293689,0.0133545,-0.0395794,0.0582772,0.0473999,-
 0.0433975,0.0926341,-0.0140533,0.0980377,0.0406629,0.1967235,0.0415455
 ,-0.0336775,0.0442421,0.200599,-0.0102276,-0.0122568,-0.0833963,0.0003
 22,-0.0669619,-0.0067102,-0.0183327,0.0104092,-0.017938,-0.0393886,-0.
 035314,-0.0463453,-0.1150966,0.056768,-0.028764,-0.0452138,-0.0100422,
 0.011972,-0.0924004,0.0021937,-0.0273796,-0.1006134,0.0509002,0.097302
 3,0.0101947,0.0678462,-0.127525,0.0210899,0.008925,-0.0111892,0.038480
 2,-0.2239428,-0.0471523,-0.0091829,-0.0208221,0.0570682,0.0155996,-0.0
 296277,0.0109475,0.0412598,0.0866852,0.0635725,0.0109065,0.0658382,-0.
 0159506,-0.0195181,0.0125385,-0.0085794,0.1166604,0.0160946,-0.0652786
 ,-0.0203236,-0.077107,-0.0689522,-0.0413598,-0.0278709,-0.041141,0.121
 6617,-0.1141306,-0.00562,-0.0270884,-0.0051382,0.0701229,-0.0121019,-0
 .0288071,-0.0124679,0.1312019,0.0023251,0.0776302,0.0033063,0.0888884,
 -0.0562636,-0.0264016,0.0023165,-0.0262576,0.1264659,0.0316805,-0.0792
 196,-0.0309257,-0.0791595,-0.0555095,-0.0365833,-0.0312433,-0.0367012,
 0.108328,-0.0268271,0.0195363,-0.0343493,-0.0850069,0.1938802,-0.07874
 19,0.0418526,-0.0857418,0.225117\Polar=126.7298494,0.9035459,104.13986
 21,2.81518,4.8374073,67.0563751\Quadrupole=4.1248254,-0.3564144,-3.768
 411,0.0997367,-0.072941,2.6550543\PG=C01 [X(C8H11N1)]\NImag=0\\0.68081
 244,-0.04484451,0.69774608,0.05177898,0.10013286,0.15215625,-0.3352159
 2,0.02623767,-0.02542903,0.68461391,-0.03809922,-0.12620032,-0.0167910
 3,0.02415518,0.68366822,-0.03641252,-0.00971583,-0.06343843,0.06316018
 ,0.10479448,0.15824106,-0.03549718,0.02633580,0.00025269,-0.17897850,0
 .11292733,0.00925191,0.61410369,0.07336947,0.03761351,0.01374063,0.052
 19772,-0.25016606,-0.02817852,-0.00190119,0.66098893,0.00841985,0.0083
 4532,0.00854183,-0.00222408,-0.02033340,-0.07241073,0.04458833,0.07838
 370,0.19717133,-0.04800112,-0.03006027,-0.00972703,0.06205531,-0.01661
 046,0.00319101,-0.16722910,-0.04197740,-0.01797703,0.68327093,-0.02847
 216,-0.01938254,-0.00527256,0.02613212,-0.05802195,-0.00931361,-0.1017
 4041,-0.26938967,-0.04502019,-0.04893219,0.69658892,-0.00923458,-0.005
 62648,-0.00938408,0.01101861,-0.01400366,0.00937705,-0.02823324,-0.037
 06297,-0.07577722,0.05849731,0.08198350,0.15321613,0.06357059,0.029167
 63,0.01118829,-0.05365114,0.02663947,-0.00058694,-0.01990305,-0.079109
 74,-0.01694639,-0.32481142,0.02702825,-0.02647031,0.66701860,-0.017596
 89,-0.05929611,-0.01360038,0.02807892,-0.01585152,0.00156816,-0.034336
 60,0.02834360,0.00012549,-0.03722462,-0.12718500,-0.01515164,0.0152926
 8,0.71002889,0.00306959,-0.00852739,0.00571440,-0.00042493,0.00139955,
 -0.00670679,-0.00845046,-0.00440828,0.00362461,-0.03670410,-0.00848010
 ,-0.06578739,0.06328501,0.10047446,0.15439797,-0.16911598,-0.10907408,
 -0.03201178,-0.02331582,-0.03185811,-0.00912508,0.00177831,0.00401800,
 0.00168700,-0.03457229,0.02682997,-0.00018631,-0.19162652,0.12784935,0
 .00754138,0.73651351,-0.04597525,-0.27731739,-0.04565655,-0.07844655,0
 .02863854,-0.00478168,0.00580066,-0.06799979,-0.01032402,0.07311449,0.
 03666199,0.01290253,0.06493530,-0.27080212,-0.02906096,-0.01003435,0.6
 4350298,-0.02061130,-0.05207481,-0.07004303,-0.01725521,0.00053352,0.0
 0431707,0.00215238,-0.01077281,-0.00748904,0.00801372,0.00808876,0.008
 71701,-0.00322525,-0.02270692,-0.06271333,0.06666749,0.09109666,0.1491
 8267,0.00447458,0.00174638,-0.00017301,-0.02251749,0.00757788,-0.00201
 462,-0.17594338,-0.01478657,-0.01498359,-0.01533729,-0.00874989,-0.004
 70722,0.00061683,0.00076553,-0.00004549,-0.00067329,-0.00201418,-0.000
 37374,0.48184136,0.00466193,-0.00425333,-0.00128619,0.02460132,0.00794
 279,0.00315693,-0.00328327,-0.09209803,-0.00379297,-0.02710191,0.00549
 370,-0.00307074,-0.00180868,-0.00450021,-0.00194762,-0.00091156,-0.002
 30525,-0.00029589,-0.00865949,0.47531975,0.00067589,-0.00164279,0.0055
 9505,0.00189960,0.00115398,0.00188332,-0.01336153,-0.00670871,-0.07609
 573,-0.00726226,-0.00147338,0.00348139,-0.00123219,-0.00181711,0.00725
 448,-0.00025249,-0.00046461,-0.00111941,0.03137225,0.06486642,0.553214
 68,-0.00092234,0.00190386,0.00051775,-0.00558095,-0.00330742,-0.001423
 32,-0.02265701,0.03754450,0.00025449,-0.00236416,-0.00094215,-0.000899
 22,0.00023455,0.00185225,0.00009679,-0.00032663,0.00016883,0.00007534,
 -0.10142518,0.06285140,-0.02232972,0.56820245,-0.00089495,-0.00018938,
 -0.00010860,0.00034709,-0.00013976,0.00038074,0.00734022,-0.00131770,-
 0.00013535,-0.00232557,-0.00200907,-0.00099747,0.00053581,0.00068907,0
 .00004076,-0.00008937,0.00068629,0.00015088,0.02496036,-0.17437274,0.0
 0100983,-0.06506334,0.35235135,-0.00028212,0.00039271,0.00033568,-0.00
 151215,-0.00059751,0.00080548,-0.00466283,0.00760707,0.00184107,-0.001
 46700,0.00038261,-0.00025598,-0.00008428,0.00046479,0.00034635,-0.0002
 2513,0.00005601,0.00004603,-0.00826937,-0.03145595,-0.08527163,0.13004
 098,0.16716762,0.50585070,0.00062120,-0.00012714,-0.00037415,-0.001367
 10,-0.00098716,0.00058389,-0.02140907,-0.02300080,0.02173804,-0.002314
 28,0.00218147,0.00065245,-0.00049514,-0.00022803,-0.00178903,-0.000353
 51,-0.00043142,-0.00005135,-0.09214893,-0.02513473,0.03070299,0.004581
 47,0.01599541,-0.01018920,0.55232542,-0.00056939,-0.00042448,-0.000302
 24,0.00121587,0.00005610,0.00099280,-0.01200066,-0.00193723,0.00226091
 ,0.00100446,0.00030746,0.00058551,-0.00026534,-0.00005698,-0.00006213,
 0.00048633,0.00023188,-0.00004503,-0.01727259,-0.09916143,0.03070047,-
 0.00475781,-0.04235060,0.02419255,-0.03502211,0.52407978,0.00028377,0.
 00026305,-0.00004185,-0.00055260,0.00007449,0.00045202,0.00403024,-0.0
 0272155,0.00340554,-0.00205767,-0.00009351,-0.00084382,0.00012715,-0.0
 0024279,-0.00052641,-0.00034326,-0.00013967,-0.00004901,0.02441397,0.0
 3564811,-0.12243998,-0.00118680,0.00226092,0.00274789,0.03339449,0.051
 04158,0.50814217,0.00040990,0.00007232,0.00004204,-0.00059474,0.000267
 88,-0.00037159,0.00145083,0.00058872,0.00079154,0.00002229,0.00098290,
 -0.00022167,-0.00035455,-0.00050683,-0.00033254,0.00017502,-0.00039241
 ,0.00001311,0.00097354,0.00317954,0.01792269,-0.04944163,0.02243330,0.
 00108027,-0.00005186,-0.00000577,-0.00031657,0.05174474,-0.00015883,-0
 .00009615,-0.00000983,0.00014771,-0.00028520,0.00029870,0.00000724,0.0
 0091112,0.00032272,0.00016386,0.00074653,0.00007753,0.00024413,-0.0003
 5617,0.00000502,0.00005275,0.00017720,0.00006347,-0.00017835,-0.018865
 00,-0.03641431,0.01289757,-0.07186900,-0.10323700,-0.00104028,0.002102
 75,-0.00183656,-0.01322253,0.09458532,-0.00008763,0.00005533,0.0000342
 0,0.00020300,0.00006759,0.00001653,-0.00026866,-0.00024489,-0.00022432
 ,0.00007740,-0.00116683,0.00012722,-0.00003359,0.00049239,-0.00002274,
 -0.00004400,0.00001508,-0.00006152,0.00160555,0.00358377,-0.00375934,-
 0.02642631,-0.14441269,-0.36678304,-0.00036593,0.00163609,0.00284180,0
 .01951380,0.14122712,0.37816005,0.00012928,-0.00037826,0.00067060,0.00
 047134,-0.00107559,0.00064254,-0.01183020,-0.01311521,-0.02944935,-0.0
 0267603,0.00151265,-0.00045155,-0.00073897,-0.00051134,0.00145094,-0.0
 0041457,-0.00023989,-0.00029433,-0.05502555,-0.01663655,-0.04611526,0.
 00195572,0.01057456,0.01493675,0.00259512,0.00320863,0.01389861,-0.001
 11442,0.00327899,0.00102667,0.06526211,-0.00108505,-0.00048603,0.00034
 869,0.00182030,0.00010060,0.00055592,-0.00322138,-0.00028446,-0.003182
 97,-0.00070353,0.00001809,0.00012337,0.00035274,-0.00035236,0.00018984
 ,0.00016903,0.00069398,0.00015243,-0.01256384,-0.07494485,-0.07601645,
 -0.00307409,-0.02115554,-0.03130657,0.00227708,0.00657217,0.02155446,0
 .00342776,-0.00544069,-0.00044074,0.01377578,0.09456733,-0.00101219,-0
 .00019404,0.00023386,0.00099218,-0.00085925,0.00128319,-0.00319638,-0.
 00139965,-0.00217234,-0.00070205,0.00065209,-0.00019839,0.00039778,-0.
 00031405,0.00003990,0.00015174,0.00066917,0.00007411,-0.04059576,-0.08
 171041,-0.25667416,0.00090053,-0.00293769,-0.00012852,-0.00288958,-0.0
 0482178,-0.02386893,0.00050983,0.00038808,0.00198903,0.04280317,0.0872
 0139,0.27986317,-0.00007294,-0.00003768,-0.00010632,-0.00007407,0.0003
 9559,-0.00011056,0.00149116,0.00079531,0.00070982,0.00010885,-0.000216
 84,-0.00019042,-0.00002538,-0.00000144,-0.00005200,0.00001020,0.000010
 54,0.00002747,0.00094032,0.00464762,0.01424625,-0.00045823,0.00088243,
 -0.00071968,-0.05403477,-0.01468280,-0.04007555,0.00037671,0.00007690,
 -0.00049865,-0.00037060,-0.00193183,0.00216235,0.05428251,0.00014176,0
 .00021992,0.00015173,-0.00002578,-0.00044318,-0.00020366,0.00118964,0.
 00086483,-0.00003512,0.00022207,0.00000062,-0.00015214,-0.00010117,0.0
 0002203,0.00000449,0.00009081,-0.00011088,0.00001005,0.00272344,0.0051
 0719,0.02093876,-0.00018206,0.00303030,0.00002023,-0.01385503,-0.07731
 954,-0.08337232,-0.00004572,-0.00036748,-0.00070790,-0.00168948,-0.002
 17268,0.00328062,0.01751663,0.08203959,-0.00010078,0.00000474,-0.00016
 412,0.00042187,-0.00039302,0.00026924,-0.00182087,-0.00017289,0.000975
 02,0.00040266,0.00013569,0.00031574,0.00011717,0.00007972,-0.00005902,
 0.00008688,0.00010260,0.00002200,-0.00205417,-0.00798258,-0.02415525,-
 0.00007715,-0.00073870,0.00273755,-0.03932977,-0.08267555,-0.26680722,
 -0.00036103,0.00133853,0.00022086,0.00225371,0.00354429,-0.00168001,0.
 04135954,0.08849383,0.29342050,-0.00020988,0.00003597,-0.00003021,-0.0
 0119653,-0.00038347,0.00042941,0.00065739,0.00015629,-0.00042549,-0.00
 003382,-0.00002105,0.00000712,0.00013838,-0.00003618,0.00008917,0.0000
 5725,0.00014421,-0.00003911,0.00442003,-0.01066434,-0.00317813,0.00089
 329,-0.00282802,0.00157063,-0.09032129,0.09773413,0.00880630,-0.000124
 14,0.00016229,0.00008577,0.00052549,0.00049837,-0.00038779,0.00174634,
 -0.00588523,-0.00017072,0.09625889,-0.00050619,0.00036877,-0.00029084,
 0.00074031,-0.00059835,-0.00083485,0.00120419,0.00029662,0.00013681,-0
 .00047867,-0.00031928,-0.00024410,0.00049187,0.00000272,0.00009326,-0.
 00000118,0.00040847,0.00016447,0.00902127,-0.01571205,-0.00537172,-0.0
 0175423,-0.00508041,0.00464748,0.09508940,-0.26456580,-0.01819178,0.00
 025989,0.00102941,0.00031220,-0.00000025,0.00080933,0.00030634,0.00407
 506,-0.00939026,-0.00070288,-0.10727372,0.28792604,0.00013441,-0.00016
 263,-0.00003499,0.00032616,0.00048922,-0.00010999,-0.00051614,-0.00072
 652,0.00023371,0.00010594,0.00016495,0.00014391,-0.00015298,0.00000747
 ,-0.00001274,-0.00008301,-0.00014836,-0.00002321,-0.01080707,0.0171999
 3,0.00345707,0.00155934,0.00590214,-0.00236972,0.00903823,-0.01888244,
 -0.04912927,0.00008975,0.00034974,-0.00023530,-0.00063720,-0.00078482,
 0.00060971,0.01281749,-0.02742999,-0.00146729,-0.01102138,0.01936698,0
 .04941215,0.00034804,0.00001700,0.00006342,-0.00018953,-0.00042377,0.0
 0006185,-0.00003326,-0.00198002,0.00247459,-0.00002363,0.00067391,0.00
 044038,-0.00034512,0.00004108,-0.00022701,-0.00013181,-0.00034332,-0.0
 0005744,-0.01412155,0.00074034,-0.00286231,0.00246542,0.00101934,-0.00
 075205,-0.29793545,-0.01842947,-0.04038115,-0.00020644,-0.00025970,-0.
 00004580,0.00049007,0.00022738,0.00046632,-0.00398926,-0.00011827,-0.0
 0067660,-0.01178391,-0.00091914,-0.00191946,0.32510125,-0.00014692,0.0
 0009725,-0.00031408,0.00023160,-0.00017686,-0.00031859,-0.00018306,-0.
 00248565,0.00304965,-0.00083707,0.00022402,-0.00004544,0.00020074,-0.0
 0006851,-0.00034028,-0.00014436,0.00012851,0.00006653,-0.02138675,-0.0
 0385805,-0.00229858,-0.00004036,0.00239174,-0.00115761,-0.01691121,-0.
 04806142,-0.00412257,-0.00028693,-0.00034730,-0.00012666,0.00080216,0.
 00070626,-0.00042600,-0.01122785,-0.00156112,-0.00117627,0.02905841,0.
 00347574,0.00511787,0.02080965,0.04989329,-0.00013431,-0.00008350,0.00
 000996,0.00026772,-0.00002985,0.00021944,0.00038448,0.00359769,-0.0020
 2436,0.00107659,-0.00014983,0.00011896,0.00010109,0.00018874,0.0003270
 7,0.00011381,0.00013209,0.00000605,0.02381454,0.00262108,0.00212113,0.
 00009371,-0.00238446,0.00057859,-0.04160394,-0.00350301,-0.05386759,-0
 .00019723,0.00017518,-0.00007194,-0.00026046,-0.00094846,0.00100123,-0
 .02955734,-0.00105726,-0.00359434,0.00296161,0.00028899,-0.00052592,0.
 04329105,0.00086276,0.05575681,-0.00060975,-0.00085759,-0.00016403,-0.
 00090998,-0.00292707,-0.00163319,0.01291363,-0.01044773,-0.00064940,-0
 .13700374,0.12664563,0.00679785,-0.01248091,0.02723696,0.00238932,-0.0
 0502405,-0.00133860,-0.00184576,-0.00000028,0.00009327,0.00036652,-0.0
 0292293,-0.00101999,0.00052481,-0.00007391,0.00028403,0.00008739,-0.00
 181157,-0.00083808,0.00040084,0.00009422,0.00023761,0.00005366,0.00001
 982,-0.00001338,-0.00002071,0.00002826,0.00021330,-0.00010109,-0.00001
 633,-0.00006035,0.00002042,0.14677071,-0.00093155,0.00011538,-0.000048
 12,-0.00355028,-0.00327477,-0.00172917,0.01533329,-0.02008611,-0.00154
 995,0.12571252,-0.25858190,-0.01644978,-0.00266612,0.00527344,0.000098
 83,-0.00079866,0.00177195,-0.00067841,0.00239090,-0.00113611,0.0008579
 1,0.00167507,0.00105825,0.00037355,-0.00025699,0.00007833,-0.00019474,
 -0.00098672,0.00000808,0.00059880,0.00003232,0.00009743,0.00003606,0.0
 0001421,-0.00002292,0.00003849,0.00001830,0.00016557,-0.00004374,-0.00
 012757,-0.00005506,0.00004073,-0.13725442,0.27393468,-0.00024904,-0.00
 000083,-0.00042483,-0.00138915,-0.00212077,0.00546790,0.00349211,-0.00
 536653,0.00362194,0.00559682,-0.01427823,-0.03774663,-0.00160522,0.002
 92926,0.00253737,-0.00130536,-0.00093439,0.00706517,0.00049332,0.00034
 970,-0.00373773,-0.00000147,0.00027828,-0.00007986,0.00067222,0.000206
 89,0.00031076,0.00073659,0.00017175,0.00027673,-0.00074644,-0.00019586
 ,0.00001202,0.00003804,0.00000312,-0.00001395,0.00000192,0.00006544,-0
 .00002941,0.00002696,0.00011498,-0.00013613,-0.00671235,0.01805178,0.0
 2748689,-0.00109558,0.00339700,-0.00033640,-0.00091592,0.00086123,0.00
 010940,-0.00563585,0.00092766,-0.00128529,-0.00971258,-0.02919529,-0.0
 0622372,-0.11270750,-0.10550701,-0.02655613,0.01175403,0.01629854,0.00
 382515,0.00027431,-0.00145258,-0.00021027,0.00008076,0.00017647,-0.000
 02601,-0.00029309,0.00007861,-0.00017623,-0.00001748,-0.00002403,0.000
 01597,-0.00027373,-0.00003260,-0.00005781,0.00001344,0.00000757,0.0000
 3299,0.00001718,-0.00000368,-0.00000571,-0.00007467,-0.00007681,0.0000
 9677,0.00108159,0.00034656,0.00062492,0.11628327,0.00435696,-0.0026123
 5,-0.00125316,0.00081327,0.00031101,0.00028134,0.00032833,0.00216512,-
 0.00082071,0.00099935,0.00222823,0.00014577,-0.10538046,-0.26927621,-0
 .05123218,-0.01431830,-0.01876418,-0.00509372,0.00031096,-0.00004484,0
 .00000340,-0.00009017,0.00001882,-0.00002209,-0.00004066,0.00001357,-0
 .00006605,0.00002903,0.00000638,-0.00002082,-0.00006917,-0.00001132,-0
 .00000107,0.00000639,0.00000817,0.00000876,0.00000862,0.00000175,0.000
 00522,-0.00001728,-0.00002061,0.00000987,-0.00046376,0.00074892,0.0007
 2026,0.11415283,0.28542037,-0.00012227,-0.00131197,0.00727636,-0.00001
 660,0.00040578,-0.00065079,-0.00164861,-0.00107890,0.00704575,-0.00078
 865,-0.00295023,0.00158130,-0.02679020,-0.05089198,-0.04652220,-0.0012
 6358,-0.00202660,0.00156759,0.00022123,-0.00022676,0.00007396,-0.00006
 729,0.00003276,-0.00008800,-0.00012710,0.00001966,0.00004162,0.0000032
 5,-0.00003582,0.00003688,0.00003185,-0.00005499,-0.00000489,0.00001147
 ,0.00000588,-0.00000652,0.00001593,0.00000981,-0.00003219,-0.00006007,
 0.00000731,0.00003642,0.00064400,0.00061259,-0.00364720,0.02942737,0.0
 5665493,0.03780487,-0.01033750,0.00184033,-0.00091135,0.00106106,-0.00
 271957,-0.00122979,0.00065142,0.00008085,0.00020860,0.00045624,0.00363
 449,-0.00020340,-0.01334255,-0.00322385,-0.00215758,-0.33080043,-0.009
 51809,-0.03454258,0.00005343,0.00005031,0.00011576,-0.00017709,-0.0000
 1049,-0.00003207,-0.00001404,-0.00002990,-0.00001802,0.00005973,0.0000
 2312,-0.00004061,0.00002101,-0.00001315,0.00000289,0.00000031,0.000016
 49,0.00000264,0.00001913,0.00001615,-0.00001156,-0.00002743,0.00000061
 ,0.00000831,-0.00065351,-0.00026786,-0.00010674,0.00082221,0.00021525,
 0.00054161,0.35206378,-0.02870944,0.00365133,-0.00266476,-0.00174305,-
 0.00424089,-0.00237553,0.00009912,-0.00140111,-0.00004659,0.00259508,-
 0.00396465,-0.00173280,0.02738726,0.00569271,0.00374194,-0.00954057,-0
 .05934080,-0.00571450,-0.00000006,-0.00003636,0.00017197,0.00008414,0.
 00011948,0.00005160,-0.00001124,-0.00003073,0.00000334,-0.00009039,-0.
 00003011,0.00004526,0.00006586,0.00003343,0.00005238,-0.00000929,0.000
 01106,0.00000625,0.00001647,0.00006064,-0.00002607,-0.00001547,0.00001
 350,0.00000100,0.00121818,0.00011993,0.00006857,-0.00068775,0.00088649
 ,0.00071874,0.01019822,0.05755335,-0.00646374,0.00065010,0.00055367,-0
 .00098967,-0.00246108,0.00694125,0.00017846,-0.00005107,-0.00105915,-0
 .00033624,-0.00162496,0.00751037,0.00314903,0.00052658,0.00175218,-0.0
 3443387,-0.00575384,-0.03823052,0.00013887,0.00008094,-0.00083901,0.00
 004248,0.00005910,-0.00008952,0.00008601,0.00001214,0.00002696,0.00002
 211,-0.00001203,0.00001955,-0.00012023,-0.00011125,-0.00007398,0.00000
 750,-0.00000649,0.00002627,0.00000951,0.00005616,-0.00000743,-0.000017
 28,0.00006457,-0.00001626,0.00012494,-0.00001102,0.00026251,0.00037451
 ,0.00079815,-0.00354048,0.03800782,0.00703785,0.02993515,-0.13914294,0
 .12418172,0.01162240,-0.01268043,0.02812750,0.00368482,-0.00539229,-0.
 00160830,-0.00159150,-0.00070308,-0.00094563,-0.00018557,-0.00033443,-
 0.00282134,-0.00131297,0.01168772,-0.01309171,-0.00136053,0.00035198,0
 .00139239,0.00023294,-0.00060213,0.00002444,-0.00015141,-0.00003150,0.
 00006613,-0.00005519,0.00000247,0.00000219,0.00000945,0.00001824,-0.00
 001681,-0.00005373,-0.00000077,-0.00000488,0.00001714,0.00000748,-0.00
 003429,0.00000255,-0.00004638,-0.00003313,0.00003120,0.00001222,0.0000
 8583,0.00014051,0.00036520,-0.00071907,-0.00009265,0.00077358,0.000518
 40,0.00055715,0.14477131,0.12440790,-0.25101397,-0.02676180,-0.0023315
 9,0.00415860,0.00021314,-0.00063751,0.00194098,-0.00118960,-0.00088205
 ,0.00017784,0.00005632,-0.00381165,-0.00310459,-0.00233942,0.01736590,
 -0.01845915,-0.00186836,-0.00024314,0.00007610,-0.00005563,0.00004825,
 0.00001438,0.00003875,0.00003379,-0.00001683,0.00002670,-0.00002768,-0
 .00000587,0.00000832,0.00006051,0.00000172,0.00000020,-0.00000600,-0.0
 0000967,-0.00000343,-0.00001418,-0.00001244,0.00001112,0.00003221,0.00
 001067,-0.00001135,0.00003957,-0.00002849,0.00021884,0.00086262,-0.000
 99468,-0.00009853,-0.00040471,0.00089757,0.00077968,-0.13480066,0.2656
 1003,0.01145089,-0.02699486,-0.03818188,-0.00170338,0.00337300,0.00217
 890,-0.00157725,-0.00090911,0.00751610,-0.00036141,0.00005904,-0.00067
 669,-0.00149684,-0.00225815,0.00665784,0.00436178,-0.00493209,0.001305
 51,-0.00009289,0.00013663,0.00032942,-0.00001978,-0.00004513,-0.000143
 63,0.00011888,0.00004644,-0.00001946,0.00003441,-0.00003719,-0.0000057
 2,-0.00005984,-0.00002420,-0.00003026,0.00001280,-0.00002065,-0.000015
 38,0.00000928,-0.00002287,0.00001834,0.00000553,-0.00001134,-0.0000227
 9,0.00018733,0.00016311,-0.00117157,0.00019204,-0.00031936,0.00021295,
 0.00039819,0.00085768,-0.00331273,-0.01202700,0.03008005,0.02911336,-0
 .00993666,-0.02990192,-0.00690353,-0.11016905,-0.10190271,-0.02784207,
 0.01153599,0.01431673,0.00374078,-0.00134629,0.00350814,-0.00021205,-0
 .00084485,0.00071275,0.00012280,-0.00554473,0.00125217,-0.00113691,0.0
 0025008,0.00012346,0.00059193,0.00021244,-0.00027419,-0.00004653,-0.00
 072641,0.00019372,0.00041197,0.00006285,0.00001095,-0.00002199,0.00013
 396,0.00008083,-0.00015946,0.00006292,-0.00004437,-0.00006517,-0.00120
 955,0.00018967,0.00087306,0.00010014,-0.00007122,-0.00008978,0.0004750
 1,0.00087016,0.00017400,0.00006109,-0.00010373,0.00010050,-0.00060065,
 -0.00139238,-0.00033884,0.00106324,0.00031385,0.00055513,0.11641116,0.
 00104705,0.00192483,0.00012693,-0.10225880,-0.26610211,-0.05492605,-0.
 01367207,-0.01982020,-0.00589500,0.00446396,-0.00275941,-0.00104088,0.
 00079718,0.00028171,0.00019919,0.00009591,0.00213449,-0.00105276,-0.00
 182169,-0.00018978,0.00042580,0.00037778,0.00055609,0.00019003,-0.0000
 1570,-0.00053309,0.00020069,-0.00026147,-0.00001962,0.00009381,0.00071
 940,0.00004109,0.00049130,-0.00014533,0.00016683,0.00011666,-0.0002607
 2,0.00103982,-0.00004455,-0.00002903,0.00032063,-0.00004626,-0.0008666
 0,-0.00100719,-0.00036177,-0.00012728,-0.00006634,0.00021877,0.0001551
 1,-0.00005361,-0.00003608,-0.00045064,0.00075155,0.00081450,0.11214735
 ,0.28336557,-0.00123024,-0.00341554,0.00140023,-0.02733473,-0.05479183
 ,-0.04858747,-0.00220142,-0.00193571,0.00264221,0.00001744,-0.00126912
 ,0.00588970,0.00028698,0.00018024,-0.00042885,-0.00143759,-0.00071815,
 0.00743609,0.00056691,0.00061286,-0.00243106,-0.00005260,0.00018188,-0
 .00027901,0.00030671,-0.00037997,0.00002376,-0.00003786,-0.00012173,0.
 00000058,-0.00020394,-0.00044983,-0.00047772,0.00005052,-0.00001231,0.
 00006332,0.00085472,0.00044080,-0.00017273,-0.00020348,0.00043310,-0.0
 0002610,-0.00018457,-0.00019304,0.00034038,0.00013028,0.00018786,-0.00
 123615,-0.00006048,-0.00019550,0.00015729,0.00044654,0.00090248,-0.003
 69206,0.03027064,0.06053542,0.03930416,-0.00020826,0.00034577,0.000030
 64,-0.00084444,-0.00065753,-0.00036533,-0.00007354,0.00393171,0.000919
 09,0.00021522,0.00008608,0.00000553,0.00008260,0.00016462,0.00000726,-
 0.00007642,0.00010103,0.00001887,-0.01700353,-0.00668845,-0.00132265,-
 0.39174783,-0.01178349,-0.11973363,0.00144712,-0.00123608,-0.00029085,
 -0.00156125,-0.00134590,0.00489472,0.00074750,-0.00022461,0.00061432,-
 0.00002657,0.00005697,-0.00001766,0.00010999,-0.00032976,0.00030867,0.
 00041985,0.00030287,-0.00041825,0.00011148,0.00036102,0.00011837,-0.00
 002668,-0.00001838,-0.00002021,-0.00002871,0.00001693,0.00000147,-0.00
 011952,-0.00000540,0.00001217,0.00000929,0.00010558,0.00001617,0.40857
 367,0.00000528,-0.00046500,-0.00014073,0.00163696,0.00062510,0.0001352
 8,0.00041032,-0.00613870,-0.00029875,-0.00114205,-0.00083393,-0.000296
 44,0.00007010,0.00051562,0.00015102,-0.00018750,0.00006327,-0.00002356
 ,0.03817984,-0.00246152,0.01213473,-0.04019201,-0.04243156,-0.03780828
 ,0.00148534,0.00101607,-0.00009179,-0.01541489,-0.00188421,-0.00101523
 ,-0.00031513,0.00120649,-0.00041368,-0.00016161,-0.00007283,-0.0000242
 7,-0.00046614,0.00009371,-0.00036554,-0.00089787,-0.00062703,0.0002958
 7,0.00011903,0.00082059,0.00007952,-0.00000203,-0.00001830,-0.00001045
 ,-0.00004330,0.00005878,0.00000256,0.00012788,0.00000626,0.00004452,-0
 .00002926,-0.00003128,0.00000808,0.01681703,0.05055848,0.00012734,-0.0
 0009346,-0.00013828,0.00054219,0.00008979,0.00045174,0.00160678,-0.001
 59099,0.00063376,0.00040455,-0.00037408,0.00019143,-0.00002831,-0.0000
 5430,0.00012730,0.00010138,-0.00003322,-0.00001021,0.00149029,0.003512
 75,-0.00088720,-0.08109773,-0.02570484,-0.05980041,-0.00057387,-0.0010
 2289,-0.00039897,-0.03892090,-0.00271337,-0.01255951,0.00062376,-0.000
 15426,0.00020299,-0.00013274,0.00008912,-0.00008739,0.00041146,-0.0002
 2972,0.00027532,0.00037255,0.00062065,0.00010975,-0.00028598,0.0000261
 5,-0.00039437,0.00004815,0.00001359,0.00005073,0.00002836,-0.00000083,
 -0.00001613,0.00008586,-0.00000748,-0.00006025,-0.00002448,-0.00000974
 ,0.00007341,0.11522132,0.02763714,0.07223626\\0.00001914,0.00000869,0.
 00000276,-0.00001950,0.00000920,-0.00000008,0.00000523,-0.00002618,-0.
 00000856,0.00000971,0.00000675,-0.00000218,-0.00001795,0.00001437,0.00
 000223,0.00000375,-0.00002065,-0.00000201,-0.00001355,0.00002337,0.000
 00312,0.00000417,-0.00001303,0.00000661,0.00000021,-0.00000425,0.00000
 416,0.00000173,0.00000145,-0.00000830,0.00000300,-0.00000118,0.0000016
 3,-0.00000138,0.00000024,-0.00000192,-0.00000207,-0.00000236,0.0000005
 0,-0.00000090,-0.00000022,-0.00000095,-0.00000124,0.00000324,0.0000030
 4,0.00000119,0.00000009,0.00000009,0.00000072,0.00000056,-0.00000045,-
 0.00000121,-0.00000166,0.00000276,0.00000276,-0.00000071,0.00000026,0.
 00000619,0.00000228,-0.00000273\\\@


 EXPERIENCE IS A WONDERFUL THING.  IT ENABLES
 YOU TO RECOGNIZE A MISTAKE WHEN YOU MAKE IT AGAIN.
           - BACK OF A SUGAR PACKET
 Job cpu time:       0 days  1 hours 58 minutes  0.0 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 47.8 seconds.
 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:46:41 2021.
